Pittsburgh Supercomputing Center 

Advancing the state-of-the-art in high-performance computing,
communications and data analytics.

Current settings:
core file size          (blocks, -c) 1
data seg size           (kbytes, -d) unlimited
scheduling priority             (-e) 0
file size               (blocks, -f) unlimited
pending signals                 (-i) 131827215
max locked memory       (kbytes, -l) 64
max memory size         (kbytes, -m) unlimited
open files                      (-n) 25000
pipe size            (512 bytes, -p) 8
POSIX message queues     (bytes, -q) 819200
real-time priority              (-r) 0
stack size              (kbytes, -s) unlimited
cpu time               (seconds, -t) unlimited
max user processes              (-u) unlimited
virtual memory          (kbytes, -v) 13505365520
file locks                      (-x) unlimited


-since butterfly will eventually be run, lets test for proper execution of java
Paired mode requires bowtie. Found bowtie at: /usr/local/packages/bowtie/0.12.7/bowtie

#######################################
Running Java Tests
CMD: java -jar /usr/local/packages/trinity/r2012-10-05/util/ExitTester.jar 0
CMD finished (2 seconds)
CMD: java -jar /usr/local/packages/trinity/r2012-10-05/util/ExitTester.jar 1
-we properly captured the java failure status, as needed.  Looking good.
Java tests succeeded.
###################################

Converting input files. (in parallel)CMD: /usr/local/packages/trinity/r2012-10-05/trinity-plugins/fastool/fastool --rev  --illumina-trinity --to-fasta /brashear/nigra/trinity_stage_example/reads.left.fq.gz > left.fa
CMD: /usr/local/packages/trinity/r2012-10-05/trinity-plugins/fastool/fastool --illumina-trinity --to-fasta /brashear/nigra/trinity_stage_example/reads.right.fq.gz > right.fa
CMD finished (0 seconds)
CMD finished (0 seconds)
Done converting input files.CMD: cat left.fa right.fa > both.fa
CMD finished (1 seconds)
-------------------------------------------
----------- Jellyfish  --------------------
-- (building a k-mer catalog from reads) --
-------------------------------------------

CMD: /usr/local/packages/trinity/r2012-10-05/trinity-plugins/jellyfish/bin/jellyfish count -t 16 -m 25 -s 1226153320  both.fa
CMD finished (7 seconds)
CMD: /usr/local/packages/trinity/r2012-10-05/trinity-plugins/jellyfish/bin/jellyfish dump -L 1 mer_counts_0 >> jellyfish.kmers.fa
CMD finished (34 seconds)
CMD: touch jellyfish.1.finished
----------------------------------------------
--------------- Inchworm ---------------------
-- (Linear contig construction from k-mers) --
----------------------------------------------

CMD finished (0 seconds)
CMD: /usr/local/packages/trinity/r2012-10-05/Inchworm/bin/inchworm --kmers jellyfish.kmers.fa --run_inchworm -K 25 -L 25 --monitor 1  > /brashear/nigra/trinity_stage_example/trinity_out_dir/inchworm.K25.L25.fa.tmp
Kmer length set to: 25
Min assembly length set to: 25
Monitor turned on, set to: 1
-reading Kmer occurences...

 done parsing 520108 Kmers, 520108 added, taking 1 seconds.
Sorting 520108 kmers ...Done sorting 520108 kmers, taking 1 seconds.
Pruning kmers (min_kmer_count=1 min_any_entropy=0 min_ratio_non_error=0.05)

CMD finished (4 seconds)
CMD: touch /brashear/nigra/trinity_stage_example/trinity_out_dir/inchworm.K25.L25.fa.finished
CMD finished (0 seconds)



#########################################################################
Inchworm is complete.  --no_run_chrysalis was specified, so stopping here.
#########################################################################


 

+ source /usr/share/modules/init/bash
++ '[' 3.1.6 = '' ']'
++ MODULE_VERSION_STACK=3.1.6
++ export MODULE_VERSION_STACK
++ MODULESHOME=/usr/share/modules
++ export MODULESHOME
++ '[' torque/2.3.13_psc:mpt/2.04:ifort/11.1:icc/11.1:imkl/10.3.3:psc_path/1.0:globus/5.2.2 = '' ']'
++ '[' /usr/share/modules:/usr/share/modules/modulefiles:/usr/local/opt/modulefiles = '' ']'
+ module load trinity/r2012-10-05
++ /usr/bin/modulecmd bash load trinity/r2012-10-05
loading threaded perl
globus libs interferes with newer perl versions, unloading globus module
+ eval 'LD_LIBRARY_PATH='\''/usr/local/packages/perl/5.16.0-threads/lib:/usr/local/packages/openmpi-gnu/1.4.2/lib:/opt/intel/Compiler/11.1/072/lib/intel64:/opt/sgi/mpt/mpt-2.04/lib:/usr/lib64/jvm/jre-1.6.0-sun/lib/amd64/server:/usr/lib64/jvm/jre-1.6.0-sun/lib/amd64:/opt/intel/composerxe-2011.3.174/mkl/lib/intel64'\'';export' 'LD_LIBRARY_PATH;LIBRARY_PATH='\''/opt/sgi/mpt/mpt-2.04/lib'\'';export' 'LIBRARY_PATH;PERL_DIR='\''/usr/local/packages/perl/5.16.0-threads'\'';export' 'PERL_DIR;MANPATH='\''/usr/local/packages/perl/5.16.0-threads/man:/usr/local/packages/openmpi-gnu/1.4.2/share/man:/opt/intel/Compiler/11.1/072/man:/usr/psc/man:/usr/psc/gnu/man:/usr/local/lustre_utils/default/man:/opt/sgi/mpt/mpt-2.04/man:/usr/local/packages/torque/2.3.13_psc/man:/usr/local/man:/usr/share/man:/opt/man:/usr/share/catman:/usr/catman:/usr/man:/opt/intel/composerxe-2011.3.174/man'\'';export' 'MANPATH;JAVA_BINDIR='\''/usr/java/jdk1.6.0_21/jre/bin/'\'';export' 'JAVA_BINDIR;JDK_HOME='\''/usr/java/jdk1.6.0_21'\'';export' 'JDK_HOME;LOADEDMODULES='\''torque/2.3.13_psc:mpt/2.04:ifort/11.1:imkl/10.3.3:psc_path/1.0:icc/11.1:java/1.6.0-21-sun:openmpi-gnu/1.4.2:bowtie/0.12.7:perl/5.16.0-threads:trinity/r2012-10-05'\'';export' 'LOADEDMODULES;_LMFILES_='\''/usr/local/opt/modulefiles/torque/2.3.13_psc:/usr/share/modules/modulefiles/mpt/2.04:/usr/local/opt/modulefiles/ifort/11.1:/usr/local/opt/modulefiles/imkl/10.3.3:/usr/local/opt/modulefiles/psc_path/1.0:/usr/local/opt/modulefiles/icc/11.1:/usr/local/opt/modulefiles/java/1.6.0-21-sun:/usr/local/opt/modulefiles/openmpi-gnu/1.4.2:/usr/local/opt/modulefiles/bowtie/0.12.7:/usr/local/opt/modulefiles/perl/5.16.0-threads:/usr/local/opt/modulefiles/trinity/r2012-10-05'\'';export' '_LMFILES_;JAVA_HOME='\''/usr/java/jdk1.6.0_21'\'';export' 'JAVA_HOME;SDK_HOME='\''/usr/java/jdk1.6.0_21'\'';export' 'SDK_HOME;PERL_VERSION='\''5.16.0'\'';export' 'PERL_VERSION;JRE_HOME='\''/usr/java/jdk1.6.0_21/jre'\'';export' 'JRE_HOME;PATH='\''/usr/local/packages/trinity/r2012-10-05:/usr/local/packages/perl/5.16.0-threads/bin:/usr/local/packages/perl/5.16.0-threads/lib/site_perl/5.16.0:/usr/local/packages/bowtie/0.12.7:/usr/local/packages/openmpi-gnu/1.4.2/bin:/usr/java/jdk1.6.0_21/jre/bin:/usr/java/jdk1.6.0_21/bin:/opt/intel/Compiler/11.1/072/bin/intel64:/usr/psc/bin:/usr/local/packages/tg/bin:/usr/local/lustre_utils/default/bin:/opt/sgi/mpt/mpt-2.04/bin:/usr/local/packages/torque/2.3.13_psc/bin:/opt/sgi/sgimc/bin:/usr/local/bin:/usr/bin:/bin:/usr/bin/X11:/usr/X11R6/bin:/usr/games:/usr/lib/mit/bin:/usr/lib/mit/sbin'\'';export' 'PATH;JAVA_ROOT='\''/usr/java/jdk1.6.0_21'\'';export' 'JAVA_ROOT;PERL5LIB='\''/usr/local/packages/trinity/r2012-10-05/PerlLib:/usr/local/packages/BioPerl/bioperl-live:/usr/local/packages/perl/5.16.0-threads/lib/site_perl/5.16.0/:/usr/local/packages/perl/5.16.0-threads/lib/site_perl/5.16.0/x86_64-linux:/usr/local/packages/perl/5.16.0-threads/lib/site_perl/5.16.0/:/usr/local/packages/perl/5.16.0-threads/lib/5.16.0:/usr/local/packages/perl/5.16.0-threads/lib/5.16.0/x86_64-linux'\'';export' 'PERL5LIB;unset' 'GLOBUS_PATH;unset' 'GSSAPI_MECH_CONF;unset' 'GLOBUS_TCP_PORT_RANGE;unset' 'DYLD_LIBRARY_PATH;unset' 'SHLIB_PATH;unset' 'GLOBUS_TCP_SOURCE_RANGE;unset' 'MYPROXY_SERVER;unset' 'SASL_PATH;unset' 'MYPROXY_SERVER_PORT;unset' 'LIBPATH;unset' 'GLOBUS_LOCATION;unset' 'PBS_HOME;'
++ LD_LIBRARY_PATH=/usr/local/packages/perl/5.16.0-threads/lib:/usr/local/packages/openmpi-gnu/1.4.2/lib:/opt/intel/Compiler/11.1/072/lib/intel64:/opt/sgi/mpt/mpt-2.04/lib:/usr/lib64/jvm/jre-1.6.0-sun/lib/amd64/server:/usr/lib64/jvm/jre-1.6.0-sun/lib/amd64:/opt/intel/composerxe-2011.3.174/mkl/lib/intel64
++ export LD_LIBRARY_PATH
++ LIBRARY_PATH=/opt/sgi/mpt/mpt-2.04/lib
++ export LIBRARY_PATH
++ PERL_DIR=/usr/local/packages/perl/5.16.0-threads
++ export PERL_DIR
++ MANPATH=/usr/local/packages/perl/5.16.0-threads/man:/usr/local/packages/openmpi-gnu/1.4.2/share/man:/opt/intel/Compiler/11.1/072/man:/usr/psc/man:/usr/psc/gnu/man:/usr/local/lustre_utils/default/man:/opt/sgi/mpt/mpt-2.04/man:/usr/local/packages/torque/2.3.13_psc/man:/usr/local/man:/usr/share/man:/opt/man:/usr/share/catman:/usr/catman:/usr/man:/opt/intel/composerxe-2011.3.174/man
++ export MANPATH
++ JAVA_BINDIR=/usr/java/jdk1.6.0_21/jre/bin/
++ export JAVA_BINDIR
++ JDK_HOME=/usr/java/jdk1.6.0_21
++ export JDK_HOME
++ LOADEDMODULES=torque/2.3.13_psc:mpt/2.04:ifort/11.1:imkl/10.3.3:psc_path/1.0:icc/11.1:java/1.6.0-21-sun:openmpi-gnu/1.4.2:bowtie/0.12.7:perl/5.16.0-threads:trinity/r2012-10-05
++ export LOADEDMODULES
++ _LMFILES_=/usr/local/opt/modulefiles/torque/2.3.13_psc:/usr/share/modules/modulefiles/mpt/2.04:/usr/local/opt/modulefiles/ifort/11.1:/usr/local/opt/modulefiles/imkl/10.3.3:/usr/local/opt/modulefiles/psc_path/1.0:/usr/local/opt/modulefiles/icc/11.1:/usr/local/opt/modulefiles/java/1.6.0-21-sun:/usr/local/opt/modulefiles/openmpi-gnu/1.4.2:/usr/local/opt/modulefiles/bowtie/0.12.7:/usr/local/opt/modulefiles/perl/5.16.0-threads:/usr/local/opt/modulefiles/trinity/r2012-10-05
++ export _LMFILES_
++ JAVA_HOME=/usr/java/jdk1.6.0_21
++ export JAVA_HOME
++ SDK_HOME=/usr/java/jdk1.6.0_21
++ export SDK_HOME
++ PERL_VERSION=5.16.0
++ export PERL_VERSION
++ JRE_HOME=/usr/java/jdk1.6.0_21/jre
++ export JRE_HOME
++ PATH=/usr/local/packages/trinity/r2012-10-05:/usr/local/packages/perl/5.16.0-threads/bin:/usr/local/packages/perl/5.16.0-threads/lib/site_perl/5.16.0:/usr/local/packages/bowtie/0.12.7:/usr/local/packages/openmpi-gnu/1.4.2/bin:/usr/java/jdk1.6.0_21/jre/bin:/usr/java/jdk1.6.0_21/bin:/opt/intel/Compiler/11.1/072/bin/intel64:/usr/psc/bin:/usr/local/packages/tg/bin:/usr/local/lustre_utils/default/bin:/opt/sgi/mpt/mpt-2.04/bin:/usr/local/packages/torque/2.3.13_psc/bin:/opt/sgi/sgimc/bin:/usr/local/bin:/usr/bin:/bin:/usr/bin/X11:/usr/X11R6/bin:/usr/games:/usr/lib/mit/bin:/usr/lib/mit/sbin
++ export PATH
++ JAVA_ROOT=/usr/java/jdk1.6.0_21
++ export JAVA_ROOT
++ PERL5LIB=/usr/local/packages/trinity/r2012-10-05/PerlLib:/usr/local/packages/BioPerl/bioperl-live:/usr/local/packages/perl/5.16.0-threads/lib/site_perl/5.16.0/:/usr/local/packages/perl/5.16.0-threads/lib/site_perl/5.16.0/x86_64-linux:/usr/local/packages/perl/5.16.0-threads/lib/site_perl/5.16.0/:/usr/local/packages/perl/5.16.0-threads/lib/5.16.0:/usr/local/packages/perl/5.16.0-threads/lib/5.16.0/x86_64-linux
++ export PERL5LIB
++ unset GLOBUS_PATH
++ unset GSSAPI_MECH_CONF
++ unset GLOBUS_TCP_PORT_RANGE
++ unset DYLD_LIBRARY_PATH
++ unset SHLIB_PATH
++ unset GLOBUS_TCP_SOURCE_RANGE
++ unset MYPROXY_SERVER
++ unset SASL_PATH
++ unset MYPROXY_SERVER_PORT
++ unset LIBPATH
++ unset GLOBUS_LOCATION
++ unset PBS_HOME
+ module load java
++ /usr/bin/modulecmd bash load java
+ eval
+ mkdir -p /brashear/nigra/trinity_all_example
+ cd /brashear/nigra/trinity_all_example
+ cp /usr/local/packages/trinity/r2012-10-05/sample_data/test_Trinity_Assembly/reads.left.fq.gz /usr/local/packages/trinity/r2012-10-05/sample_data/test_Trinity_Assembly/reads.right.fq.gz .
+ Trinity.pl --JM 8G --CPU 16 --bflyCPU 16 --bflyGCThreads 16 --seqType fq --SS_lib_type RF --left reads.left.fq.gz --right reads.right.fq.gz --output trinity_out_dir
+ ja -o
+ gawk '$3 > 10.0 {print}'
    Command       Started    Elapsed    Proc   Parent   CoreMem   VirtMem      CPU       Block I/O     Swap In    Real Run   Virt Run 
     Name           At       Seconds     ID    ProcID   HiWater   HiWater  Delay Count  Delay Count  Delay Count  Time Secs  Time Secs
===============  ========  ==========  ======  ======  ========  ========  ===========  ===========  ===========  =========  =========
Chrysalis        16:02:57       16.64  2932837  2924864      2856    267008          429            0            0       1.23       1.23
ParaFly          16:03:19       11.66  2933357  2924864      2232    135540            7            0            0       0.20       0.20
ParaFly          16:03:19       11.66  2933359  2924864      2232    135540           11            0            0       0.01       0.01
ParaFly          16:03:19       11.66  2933350  2924864      2232    135540           11            0            0       0.04       0.04
ParaFly          16:03:19       11.66  2933351  2924864      2232    135540           12            0            0       0.04       0.04
ParaFly          16:03:19       11.66  2933352  2924864      2232    135540           15            0            0       0.02       0.02
ParaFly          16:03:19       11.66  2933353  2924864      2232    135540           11            0            0       0.18       0.18
ParaFly          16:03:19       11.66  2933354  2924864      2232    135540           12            0            0       0.18       0.19
ParaFly          16:03:19       11.66  2933355  2924864      2232    135540           14            0            0       0.12       0.13
ParaFly          16:03:19       11.66  2933356  2924864      2232    135540           19            0            0       0.11       0.11
ParaFly          16:03:19       11.66  2933358  2924864      2232    135540            8            0            0       0.18       0.17
ParaFly          16:03:19       11.66  2933360  2924864      2232    135540           10            0            0       0.15       0.15
ParaFly          16:03:19       11.66  2933361  2924864      2232    135540           12            0            0       0.13       0.13
ParaFly          16:03:19       11.66  2933362  2924864      2232    135540           13            0            0       0.16       0.17
ParaFly          16:03:19       11.66  2933363  2924864      2232    135540           14            0            0       0.05       0.05
ParaFly          16:03:19       11.66  2933364  2924864      2232    135540           11            0            0       0.12       0.12
ParaFly          16:03:19       11.83  2933349  2924864      2232    135540          111            0            0       0.00       0.00
ParaFly          16:03:18       12.74  2933344  2924864      2232    135540           70            0            0       1.18       1.19
perl             16:02:40       51.74  2924864  2924856     11336     39192          371            1            0       0.20       0.18
+ ja -set


Job CSA Accounting - Extended Summary Report
=============================================

Job Accounting File Name         : /tmp/.jacct34e52
Operating System                 : Linux bl1.psc.teragrid.org 2.6.32.49-0.3-default #1 SMP 2011-12-02 11:28:04 +0100 x86_64
User Name (ID)                   : nigra (140)
Group Name (ID)                  : staff (99)
Project Name (ID)                : ? (0)
Job ID                           : 0x34e52
Report Starts                    : 11/27/12 16:02:39
Report Ends                      : 11/27/12 16:03:31
Elapsed Time                     :           52      Seconds
User CPU Time                    :          200.0720 Seconds
System CPU Time                  :          226.1770 Seconds
CPU Time Core Memory Integral    :       504259.9291 Mbyte-seconds
CPU Time Virtual Memory Integral :      2917411.3880 Mbyte-seconds
Maximum Core Memory Used         :         8635.1367 Mbytes
Maximum Virtual Memory Used      :        38326.4961 Mbytes
Characters Read                  :          243.0818 Mbytes
Characters Written               :           92.9837 Mbytes
Logical I/O Read Requests        :       145263
Logical I/O Write Requests       :        15827
CPU Delay                        :          246.6294 Seconds
Block I/O Delay                  :            3.6751 Seconds
Swap In Delay                    :            0.0000 Seconds
Number of Commands               :         8664
Number of Page Swaps             :            0
Number of Minor Page Faults      :      4141661
Number of Major Page Faults      :           54
Number of CPU Delays             :       147673
Number of Block I/O Delays       :          931
Number of Swap In Delays         :            0
CPU Real Run Time                :          387.9882 Seconds
CPU Virtual Run Time             :          388.0900 Seconds
System Billing Units             :            0.0000

 

fftw3.out

 

module: Command not found.
source /usr/share/modules/init/csh
if ( 1 ) then
set modules_shell=tcsh
else
if ( 1 ) then
setenv MODULE_VERSION_STACK 3.1.6
else
set exec_prefix=/usr
if ( 0 ) then
if ( 0 ) then
alias module eval `/usr/bin/modulecmd tcsh !*`
endif
endif
unset exec_prefix
setenv MODULESHOME /usr/share/modules
if ( ! 1 ) then
if ( ! 1 ) then
eval `/usr/bin/modulecmd tcsh load fftw`
/usr/bin/modulecmd tcsh load fftw
setenv FFTW_INC /usr/local/packages/fftw-3.2.2/include
setenv FFTW_LIB /usr/local/packages/fftw-3.2.2/lib
setenv MANPATH /usr/local/packages/fftw-3.2.2/man:/usr/psc/man:/usr/psc/gnu/man:/usr/local/lustre_utils/default/man:/opt/intel/Compiler/11.1/072/man:/opt/sgi/mpt/mpt-2.02/man:/usr/local/packages/torque/2.3.12_psc/man:/usr/local/man:/usr/share/man:/usr/share/catman:/usr/catman:/usr/man
setenv PATH /usr/local/packages/fftw-3.2.2/bin:/usr/psc/bin:/usr/local/packages/tg/bin:/usr/local/lustre_utils/default/bin:/opt/intel/Compiler/11.1/072/bin/intel64:/opt/sgi/mpt/mpt-2.02/bin:/usr/local/packages/torque/2.3.12_psc/bin:/opt/sgi/sgimc/bin:/usr/local/bin:/usr/bin:/bin:/usr/bin/X11:/usr/X11R6/bin:/usr/games:/usr/lib/mit/bin:/usr/lib/mit/sbin
setenv _LMFILES_ /usr/local/opt/modulefiles/torque/2.3.12_psc:/usr/share/modules/modulefiles/mpt/2.02:/usr/local/opt/modulefiles/ifort/11.1:/usr/local/opt/modulefiles/icc/11.1:/usr/local/opt/modulefiles/imkl/10.2.5.035:/usr/local/opt/modulefiles/psc_path/1.0:/usr/local/opt/modulefiles/fftw/3.2.2
setenv LOADEDMODULES torque/2.3.12_psc:mpt/2.02:ifort/11.1:icc/11.1:imkl/10.2.5.035:psc_path/1.0:fftw/3.2.2
cd /bessemer/nigra
cp /usr/users/0/nigra/fftw/f77_test.F .
ifort -o f77_test -I/usr/local/packages/fftw-3.2.2/include f77_test.F -L/usr/local/packages/fftw-3.2.2/lib -lfftw3
./f77_test
 Input array:
     in(           1 ) =  (1.00000000000000,2.00000000000000)
     in(           2 ) =  (2.00000000000000,3.00000000000000)
     in(           3 ) =  (3.00000000000000,4.00000000000000)
     in(           4 ) =  (4.00000000000000,5.00000000000000)
 Output array:
     out(           1 ) =  (10.0000000000000,14.0000000000000)
     out(           2 ) =  (-4.00000000000000,0.000000000000000E+000)
     out(           3 ) =  (-2.00000000000000,-2.00000000000000)
     out(           4 ) =  (0.000000000000000E+000,-4.00000000000000)
 Output array after inverse FFT:
                4  * in(           1 ) =  (4.00000000000000,8.00000000000000)
                4  * in(           2 ) =  (16.0000000000000,20.0000000000000)
                4  * in(           3 ) =  (12.0000000000000,16.0000000000000)
                4  * in(           4 ) =  (8.00000000000000,12.0000000000000)

f77_test.F

 

 

*
* Copyright (c) 1997-1999 Massachusetts Institute of Technology
*
* This program is free software; you can redistribute it and/or modify
* it under the terms of the GNU General Public License as published by
* the Free Software Foundation; either version 2 of the License, or
* (at your option) any later version.
*
* This program is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
* GNU General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with this program; if not, write to the Free Software
* Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA
*

c     Simple program to demonstrate calling the wrapper routines
c     to perform 1D transforms in Fortran.  This program should be
c       linked with -lfftw -lm.

      program test

      implicit none

#include "fftw3.f"

      integer N
      parameter(N=4)

      integer*8 plan
      double complex in, out
      dimension in(N),out(N)

      integer i

      write(*,*) 'Input array:'

      do i = 1,N,1
        in(i) = dcmplx(float(i),float(i+1))
        write(*,*) '    in(',i,') = ',in(i)
      enddo

      call dfftw_plan_dft_1d ( plan, N, in, out,
     ^                         FFTW_FORWARD, FFTW_ESTIMATE )

      call dfftw_execute ( plan )

      write(*,*) 'Output array:'
      do i = 1,N,1
        write(*,*) '    out(',i,') = ',out(i)
      enddo

      call dfftw_destroy_plan ( plan )

      call dfftw_plan_dft_1d ( plan, N, out, in,
     ^                         FFTW_FORWARD, FFTW_ESTIMATE )

      call dfftw_execute ( plan )

      write(*,*) 'Output array after inverse FFT:'
      do i = 1,N,1
        write(*,*) '    ',N,' * in(',i,') = ',in(i)
      enddo

      call dfftw_destroy_plan ( plan )

      end

si.bands.out

 


     Program BANDS v.4.3.2      starts on  6Dec2011 at 13:25: 6 

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org", 
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO

     Parallel version (MPI & OpenMP), running on    16 processor cores
     Number of MPI processes:              16
     Threads/MPI process:                  1
     R & G space division:  proc/pool =   16

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1s, nr2s, nr3s values from input
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          15      15      5                  168      168      36
     Max          16      16      6                  172      172      41
     Sum         253     253     91                 2733     2733     609
 

     IMPORTANT: XC functional enforced from input :
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1 1 0 0 0)
     EXX-fraction              =        0.00
     Any further DFT definition will be discarded
     Please, verify this is what you really want

     EXX fraction changed:   0.00
     EXX Screening parameter changed:    0.0000000

 **************************************************************************

                    xk=(   0.00000,   0.00000,   0.00000  )

     point group O_h (m-3m) 
     there are 10 classes
     the character table:

       E     8C3   6C2'  6C4   3C2   i     6S4   8S6   3s_h  6s_d 
A_1g   1.00  1.00  1.00  1.00  1.00  1.00  1.00  1.00  1.00  1.00
A_2g   1.00  1.00 -1.00 -1.00  1.00  1.00 -1.00  1.00  1.00 -1.00
E_g    2.00 -1.00  0.00  0.00  2.00  2.00  0.00 -1.00  2.00  0.00
T_1g   3.00  0.00 -1.00  1.00 -1.00  3.00  1.00  0.00 -1.00 -1.00
T_2g   3.00  0.00  1.00 -1.00 -1.00  3.00 -1.00  0.00 -1.00  1.00
A_1u   1.00  1.00  1.00  1.00  1.00 -1.00 -1.00 -1.00 -1.00 -1.00
A_2u   1.00  1.00 -1.00 -1.00  1.00 -1.00  1.00 -1.00 -1.00  1.00
E_u    2.00 -1.00  0.00  0.00  2.00 -2.00  0.00  1.00 -2.00  0.00
T_1u   3.00  0.00 -1.00  1.00 -1.00 -3.00 -1.00  0.00  1.00  1.00
T_2u   3.00  0.00  1.00 -1.00 -1.00 -3.00  1.00  0.00  1.00 -1.00

     the symmetry operations in each class:
     E        1
     3C2      2    4    3
     6C2'     5    6   14   13   10    9
     6C4      7    8   15   16   12   11
     8C3     17   19   20   18   24   21   22   23
     i       25
     3s_h    26   28   27
     6s_d    29   30   38   37   34   33
     6S4     31   32   39   40   36   35
     8S6     41   43   44   42   48   45   46   47

     Band symmetry, O_h (m-3m)  point group:

     e(  1 -  1) =     -5.80990  eV     1   --> A_1g G_1   G_1+
     e(  2 -  4) =      6.25489  eV     3   --> T_2g G_25' G_5+
     e(  5 -  7) =      8.82205  eV     3   --> T_1u G_15  G_4-
     e(  8 -  8) =      9.72317  eV     1   --> A_2u G_2'  G_2-

 **************************************************************************

 **************************************************************************

                    xk=(   0.00000,   0.00000,   0.10000  )

     point group C_4v (4mm) 
     there are  5 classes
     the character table:

       E     2C4   C2    2s_v  2s_d 
A_1    1.00  1.00  1.00  1.00  1.00
A_2    1.00  1.00  1.00 -1.00 -1.00
B_1    1.00 -1.00  1.00  1.00 -1.00
B_2    1.00 -1.00  1.00 -1.00  1.00
E      2.00  0.00 -2.00  0.00  0.00

     the symmetry operations in each class:
     E        1
     C2       2
     2C4      3    4
     2s_v     5    6
     2s_d     7    8

     Band symmetry, C_4v (4mm)  point group:

     e(  1 -  1) =     -5.76681  eV     1   --> A_1  G_1 D_1   
     e(  2 -  2) =      5.98099  eV     1   --> B_2  G_4 D_2'  
     e(  3 -  4) =      6.07223  eV     2   --> E    G_5 D_5   
     e(  5 -  5) =      8.71044  eV     1   --> A_1  G_1 D_1   
     e(  6 -  7) =      9.05709  eV     2   --> E    G_5 D_5   
     e(  8 -  8) =      9.98378  eV     1   --> B_2  G_4 D_2'  

 **************************************************************************

 **************************************************************************

                    xk=(   0.00000,   0.00000,   0.20000  )

     Band symmetry, C_4v (4mm)  point group:

     e(  1 -  1) =     -5.63372  eV     1   --> A_1  G_1 D_1   
     e(  2 -  2) =      5.33389  eV     1   --> B_2  G_4 D_2'  
     e(  3 -  4) =      5.66013  eV     2   --> E    G_5 D_5   
     e(  5 -  5) =      8.42383  eV     1   --> A_1  G_1 D_1   
     e(  6 -  7) =      9.63007  eV     2   --> E    G_5 D_5   
     e(  8 -  8) =     10.51923  eV     1   --> B_2  G_4 D_2'  

 **************************************************************************

 **************************************************************************

                    xk=(   0.00000,   0.00000,   0.30000  )

     Band symmetry, C_4v (4mm)  point group:

     e(  1 -  1) =     -5.41325  eV     1   --> A_1  G_1 D_1   
     e(  2 -  2) =      4.52654  eV     1   --> B_2  G_4 D_2'  
     e(  3 -  4) =      5.18587  eV     2   --> E    G_5 D_5   
     e(  5 -  5) =      8.05161  eV     1   --> A_1  G_1 D_1   
     e(  6 -  7) =     10.36976  eV     2   --> E    G_5 D_5   
     e(  8 -  8) =     10.70616  eV     1   --> B_2  G_4 D_2'  

 **************************************************************************

 **************************************************************************

                    xk=(   0.00000,   0.00000,   0.40000  )

     Band symmetry, C_4v (4mm)  point group:

     e(  1 -  1) =     -5.10635  eV     1   --> A_1  G_1 D_1   
     e(  2 -  2) =      3.65285  eV     1   --> B_2  G_4 D_2'  
     e(  3 -  4) =      4.72659  eV     2   --> E    G_5 D_5   
     e(  5 -  5) =      7.67236  eV     1   --> A_1  G_1 D_1   
     e(  6 -  6) =     10.13643  eV     1   --> B_2  G_4 D_2'  
     e(  7 -  8) =     11.18660  eV     2   --> E    G_5 D_5   

 **************************************************************************

 **************************************************************************

                    xk=(   0.00000,   0.00000,   0.50000  )

     Band symmetry, C_4v (4mm)  point group:

     e(  1 -  1) =     -4.71286  eV     1   --> A_1  G_1 D_1   
     e(  2 -  2) =      2.75637  eV     1   --> B_2  G_4 D_2'  
     e(  3 -  4) =      4.31608  eV     2   --> E    G_5 D_5   
     e(  5 -  5) =      7.33158  eV     1   --> A_1  G_1 D_1   
     e(  6 -  6) =      9.35468  eV     1   --> B_2  G_4 D_2'  
     e(  7 -  8) =     12.05953  eV     2   --> E    G_5 D_5   

 **************************************************************************

 **************************************************************************

                    xk=(   0.00000,   0.00000,   0.60000  )

     Band symmetry, C_4v (4mm)  point group:

     e(  1 -  1) =     -4.23578  eV     1   --> A_1  G_1 D_1   
     e(  2 -  2) =      1.85168  eV     1   --> B_2  G_4 D_2'  
     e(  3 -  4) =      3.96936  eV     2   --> E    G_5 D_5   
     e(  5 -  5) =      7.05650  eV     1   --> A_1  G_1 D_1   
     e(  6 -  6) =      8.61696  eV     1   --> B_2  G_4 D_2'  
     e(  7 -  8) =     12.96177  eV     2   --> E    G_5 D_5   

 **************************************************************************

 **************************************************************************

                    xk=(   0.00000,   0.00000,   0.70000  )

     Band symmetry, C_4v (4mm)  point group:

     e(  1 -  1) =     -3.68012  eV     1   --> A_1  G_1 D_1   
     e(  2 -  2) =      0.95015  eV     1   --> B_2  G_4 D_2'  
     e(  3 -  4) =      3.69360  eV     2   --> E    G_5 D_5   
     e(  5 -  5) =      6.86544  eV     1   --> A_1  G_1 D_1   
     e(  6 -  6) =      7.99242  eV     1   --> B_2  G_4 D_2'  
     e(  7 -  8) =     13.88560  eV     2   --> E    G_5 D_5   

 **************************************************************************

 **************************************************************************

                    xk=(   0.00000,   0.00000,   0.80000  )

     Band symmetry, C_4v (4mm)  point group:

     e(  1 -  1) =     -3.05298  eV     1   --> A_1  G_1 D_1   
     e(  2 -  2) =      0.06829  eV     1   --> B_2  G_4 D_2'  
     e(  3 -  4) =      3.49478  eV     2   --> E    G_5 D_5   
     e(  5 -  5) =      6.76567  eV     1   --> A_1  G_1 D_1   
     e(  6 -  6) =      7.49426  eV     1   --> B_2  G_4 D_2'  
     e(  7 -  8) =     14.82910  eV     2   --> E    G_5 D_5   

 **************************************************************************

 **************************************************************************

                    xk=(   0.00000,   0.00000,   0.90000  )

     Band symmetry, C_4v (4mm)  point group:

     e(  1 -  1) =     -2.35631  eV     1   --> A_1  G_1 D_1   
     e(  2 -  2) =     -0.78668  eV     1   --> B_2  G_4 D_2'  
     e(  3 -  4) =      3.37380  eV     2   --> E    G_5 D_5   
     e(  5 -  5) =      6.76912  eV     1   --> A_1  G_1 D_1   
     e(  6 -  6) =      7.12853  eV     1   --> B_2  G_4 D_2'  
     e(  7 -  8) =     15.76318  eV     2   --> E    G_5 D_5   

 **************************************************************************

 **************************************************************************

                    xk=(   0.00000,   0.00000,   1.00000  )

     zone border point and non-symmorphic group 
     symmetry decomposition not available

 **************************************************************************

 **************************************************************************

                    xk=(   0.00000,   0.00000,   0.00000  )

     point group O_h (m-3m) 
     there are 10 classes
     the character table:

       E     8C3   6C2'  6C4   3C2   i     6S4   8S6   3s_h  6s_d 
A_1g   1.00  1.00  1.00  1.00  1.00  1.00  1.00  1.00  1.00  1.00
A_2g   1.00  1.00 -1.00 -1.00  1.00  1.00 -1.00  1.00  1.00 -1.00
E_g    2.00 -1.00  0.00  0.00  2.00  2.00  0.00 -1.00  2.00  0.00
T_1g   3.00  0.00 -1.00  1.00 -1.00  3.00  1.00  0.00 -1.00 -1.00
T_2g   3.00  0.00  1.00 -1.00 -1.00  3.00 -1.00  0.00 -1.00  1.00
A_1u   1.00  1.00  1.00  1.00  1.00 -1.00 -1.00 -1.00 -1.00 -1.00
A_2u   1.00  1.00 -1.00 -1.00  1.00 -1.00  1.00 -1.00 -1.00  1.00
E_u    2.00 -1.00  0.00  0.00  2.00 -2.00  0.00  1.00 -2.00  0.00
T_1u   3.00  0.00 -1.00  1.00 -1.00 -3.00 -1.00  0.00  1.00  1.00
T_2u   3.00  0.00  1.00 -1.00 -1.00 -3.00  1.00  0.00  1.00 -1.00

     the symmetry operations in each class:
     E        1
     3C2      2    4    3
     6C2'     5    6   14   13   10    9
     6C4      7    8   15   16   12   11
     8C3     17   19   20   18   24   21   22   23
     i       25
     3s_h    26   28   27
     6s_d    29   30   38   37   34   33
     6S4     31   32   39   40   36   35
     8S6     41   43   44   42   48   45   46   47

     Band symmetry, O_h (m-3m)  point group:

     e(  1 -  1) =     -5.80990  eV     1   --> A_1g G_1   G_1+
     e(  2 -  4) =      6.25489  eV     3   --> T_2g G_25' G_5+
     e(  5 -  7) =      8.82205  eV     3   --> T_1u G_15  G_4-
     e(  8 -  8) =      9.72317  eV     1   --> A_2u G_2'  G_2-

 **************************************************************************

 **************************************************************************

                    xk=(   0.00000,   0.10000,   0.10000  )

     point group C_2v (mm2) 
     there are  4 classes
     the character table:

       E     C2    s_xz  s_yz 
A_1    1.00  1.00  1.00  1.00
A_2    1.00  1.00 -1.00 -1.00
B_1    1.00 -1.00  1.00 -1.00
B_2    1.00 -1.00 -1.00  1.00

     the symmetry operations in each class:
     E        1
     C2       2
     s_xz     3
     s_yz     4

     Band symmetry, C_2v (mm2)  point group:

     e(  1 -  1) =     -5.72181  eV     1   --> A_1  D_1  S_1  
     e(  2 -  2) =      5.51805  eV     1   --> B_2  D_4  S_4  
     e(  3 -  3) =      5.89088  eV     1   --> A_1  D_1  S_1  
     e(  4 -  4) =      6.21456  eV     1   --> A_2  D_2  S_2  
     e(  5 -  5) =      8.91345  eV     1   --> B_1  D_3  S_3  
     e(  6 -  6) =      8.98563  eV     1   --> A_1  D_1  S_1  
     e(  7 -  7) =      9.08098  eV     1   --> B_2  D_4  S_4  
     e(  8 -  8) =     10.31679  eV     1   --> B_2  D_4  S_4  

 **************************************************************************

 **************************************************************************

                    xk=(   0.00000,   0.20000,   0.20000  )

     Band symmetry, C_2v (mm2)  point group:

     e(  1 -  1) =     -5.45765  eV     1   --> A_1  D_1  S_1  
     e(  2 -  2) =      4.22376  eV     1   --> B_2  D_4  S_4  
     e(  3 -  3) =      5.05826  eV     1   --> A_1  D_1  S_1  
     e(  4 -  4) =      6.07497  eV     1   --> A_2  D_2  S_2  
     e(  5 -  5) =      9.18727  eV     1   --> B_1  D_3  S_3  
     e(  6 -  6) =      9.27870  eV     1   --> B_2  D_4  S_4  
     e(  7 -  7) =      9.36851  eV     1   --> A_1  D_1  S_1  
     e(  8 -  8) =     11.49913  eV     1   --> B_2  D_4  S_4  

 **************************************************************************

 **************************************************************************

                    xk=(   0.00000,   0.30000,   0.30000  )

     Band symmetry, C_2v (mm2)  point group:

     e(  1 -  1) =     -5.02436  eV     1   --> A_1  D_1  S_1  
     e(  2 -  2) =      2.93304  eV     1   --> B_2  D_4  S_4  
     e(  3 -  3) =      4.09225  eV     1   --> A_1  D_1  S_1  
     e(  4 -  4) =      5.80158  eV     1   --> A_2  D_2  S_2  
     e(  5 -  5) =      9.35615  eV     1   --> B_2  D_4  S_4  
     e(  6 -  6) =      9.64161  eV     1   --> B_1  D_3  S_3  
     e(  7 -  7) =      9.89651  eV     1   --> A_1  D_1  S_1  
     e(  8 -  8) =     11.91655  eV     1   --> B_2  D_4  S_4  

 **************************************************************************

 **************************************************************************

                    xk=(   0.00000,   0.40000,   0.40000  )

     Band symmetry, C_2v (mm2)  point group:

     e(  1 -  1) =     -4.43817  eV     1   --> A_1  D_1  S_1  
     e(  2 -  2) =      1.76602  eV     1   --> B_2  D_4  S_4  
     e(  3 -  3) =      3.17121  eV     1   --> A_1  D_1  S_1  
     e(  4 -  4) =      5.39166  eV     1   --> A_2  D_2  S_2  
     e(  5 -  5) =      9.16778  eV     1   --> B_2  D_4  S_4  
     e(  6 -  6) =     10.27129  eV     1   --> B_1  D_3  S_3  
     e(  7 -  7) =     10.57148  eV     1   --> A_1  D_1  S_1  
     e(  8 -  8) =     11.99749  eV     1   --> B_2  D_4  S_4  

 **************************************************************************

 **************************************************************************

                    xk=(   0.00000,   0.50000,   0.50000  )

     Band symmetry, C_2v (mm2)  point group:

     e(  1 -  1) =     -3.72767  eV     1   --> A_1  D_1  S_1  
     e(  2 -  2) =      0.75397  eV     1   --> B_2  D_4  S_4  
     e(  3 -  3) =      2.39873  eV     1   --> A_1  D_1  S_1  
     e(  4 -  4) =      4.89636  eV     1   --> A_2  D_2  S_2  
     e(  5 -  5) =      8.69308  eV     1   --> B_2  D_4  S_4  
     e(  6 -  6) =     11.07535  eV     1   --> B_1  D_3  S_3  
     e(  7 -  7) =     11.39195  eV     1   --> A_1  D_1  S_1  
     e(  8 -  8) =     12.40832  eV     1   --> B_2  D_4  S_4  

 **************************************************************************

 **************************************************************************

                    xk=(   0.00000,   0.60000,   0.60000  )

     Band symmetry, C_2v (mm2)  point group:

     e(  1 -  1) =     -2.95842  eV     1   --> A_1  D_1  S_1  
     e(  2 -  2) =     -0.08443  eV     1   --> B_2  D_4  S_4  
     e(  3 -  3) =      1.86837  eV     1   --> A_1  D_1  S_1  
     e(  4 -  4) =      4.39570  eV     1   --> A_2  D_2  S_2  
     e(  5 -  5) =      8.12616  eV     1   --> B_2  D_4  S_4  
     e(  6 -  6) =     12.04665  eV     1   --> B_1  D_3  S_3  
     e(  7 -  7) =     12.30467  eV     1   --> A_1  D_1  S_1  
     e(  8 -  8) =     13.12049  eV     1   --> B_2  D_4  S_4  

 **************************************************************************

 **************************************************************************

                    xk=(   0.00000,   0.70000,   0.70000  )

     Band symmetry, C_2v (mm2)  point group:

     e(  1 -  1) =     -2.26356  eV     1   --> A_1  D_1  S_1  
     e(  2 -  2) =     -0.74586  eV     1   --> B_2  D_4  S_4  
     e(  3 -  3) =      1.71183  eV     1   --> A_1  D_1  S_1  
     e(  4 -  4) =      3.95444  eV     1   --> A_2  D_2  S_2  
     e(  5 -  5) =      7.60984  eV     1   --> B_2  D_4  S_4  
     e(  6 -  6) =     11.39200  eV     1   --> A_1  D_1  S_1  
     e(  7 -  7) =     13.16747  eV     1   --> B_1  D_3  S_3  
     e(  8 -  8) =     13.69667  eV     1   --> A_1  D_1  S_1  

 **************************************************************************

 **************************************************************************

                    xk=(   0.00000,   0.80000,   0.80000  )

     Band symmetry, C_2v (mm2)  point group:

     e(  1 -  1) =     -1.81180  eV     1   --> A_1  D_1  S_1  
     e(  2 -  2) =     -1.21825  eV     1   --> B_2  D_4  S_4  
     e(  3 -  3) =      2.07007  eV     1   --> A_1  D_1  S_1  
     e(  4 -  4) =      3.61647  eV     1   --> A_2  D_2  S_2  
     e(  5 -  5) =      7.21653  eV     1   --> B_2  D_4  S_4  
     e(  6 -  6) =      9.38142  eV     1   --> A_1  D_1  S_1  
     e(  7 -  7) =     14.41482  eV     1   --> B_1  D_3  S_3  
     e(  8 -  8) =     15.01516  eV     1   --> B_2  D_4  S_4  

 **************************************************************************

 **************************************************************************

                    xk=(   0.00000,   0.90000,   0.90000  )

     Band symmetry, C_2v (mm2)  point group:

     e(  1 -  1) =     -1.63507  eV     1   --> A_1  D_1  S_1  
     e(  2 -  2) =     -1.50298  eV     1   --> B_2  D_4  S_4  
     e(  3 -  3) =      2.83020  eV     1   --> A_1  D_1  S_1  
     e(  4 -  4) =      3.40517  eV     1   --> A_2  D_2  S_2  
     e(  5 -  5) =      6.97105  eV     1   --> B_2  D_4  S_4  
     e(  6 -  6) =      7.68400  eV     1   --> A_1  D_1  S_1  
     e(  7 -  7) =     15.66969  eV     1   --> B_1  D_3  S_3  
     e(  8 -  8) =     15.94292  eV     1   --> B_2  D_4  S_4  

 **************************************************************************

 **************************************************************************

                    xk=(   0.00000,   1.00000,   1.00000  )

     zone border point and non-symmorphic group 
     symmetry decomposition not available

 **************************************************************************

 **************************************************************************

                    xk=(   0.00000,   0.00000,   0.00000  )

     point group O_h (m-3m) 
     there are 10 classes
     the character table:

       E     8C3   6C2'  6C4   3C2   i     6S4   8S6   3s_h  6s_d 
A_1g   1.00  1.00  1.00  1.00  1.00  1.00  1.00  1.00  1.00  1.00
A_2g   1.00  1.00 -1.00 -1.00  1.00  1.00 -1.00  1.00  1.00 -1.00
E_g    2.00 -1.00  0.00  0.00  2.00  2.00  0.00 -1.00  2.00  0.00
T_1g   3.00  0.00 -1.00  1.00 -1.00  3.00  1.00  0.00 -1.00 -1.00
T_2g   3.00  0.00  1.00 -1.00 -1.00  3.00 -1.00  0.00 -1.00  1.00
A_1u   1.00  1.00  1.00  1.00  1.00 -1.00 -1.00 -1.00 -1.00 -1.00
A_2u   1.00  1.00 -1.00 -1.00  1.00 -1.00  1.00 -1.00 -1.00  1.00
E_u    2.00 -1.00  0.00  0.00  2.00 -2.00  0.00  1.00 -2.00  0.00
T_1u   3.00  0.00 -1.00  1.00 -1.00 -3.00 -1.00  0.00  1.00  1.00
T_2u   3.00  0.00  1.00 -1.00 -1.00 -3.00  1.00  0.00  1.00 -1.00

     the symmetry operations in each class:
     E        1
     3C2      2    4    3
     6C2'     5    6   14   13   10    9
     6C4      7    8   15   16   12   11
     8C3     17   19   20   18   24   21   22   23
     i       25
     3s_h    26   28   27
     6s_d    29   30   38   37   34   33
     6S4     31   32   39   40   36   35
     8S6     41   43   44   42   48   45   46   47

     Band symmetry, O_h (m-3m)  point group:

     e(  1 -  1) =     -5.80990  eV     1   --> A_1g G_1   G_1+
     e(  2 -  4) =      6.25489  eV     3   --> T_2g G_25' G_5+
     e(  5 -  7) =      8.82205  eV     3   --> T_1u G_15  G_4-
     e(  8 -  8) =      9.72317  eV     1   --> A_2u G_2'  G_2-

 **************************************************************************

 **************************************************************************

                    xk=(   0.10000,   0.10000,   0.10000  )

     point group C_3v (3m)  
     there are  3 classes
     the character table:

       E     2C3   3s_v 
A_1    1.00  1.00  1.00
A_2    1.00  1.00 -1.00
E      2.00 -1.00  0.00

     the symmetry operations in each class:
     E        1
     2C3      2    3
     3s_v     4    5    6

     Band symmetry, C_3v (3m)   point group:

     e(  1 -  1) =     -5.67829  eV     1   --> A_1  L_1       
     e(  2 -  2) =      5.10376  eV     1   --> A_1  L_1       
     e(  3 -  4) =      6.04960  eV     2   --> E    L_3       
     e(  5 -  5) =      8.84762  eV     1   --> A_1  L_1       
     e(  6 -  7) =      9.12047  eV     2   --> E    L_3       
     e(  8 -  8) =     10.61160  eV     1   --> A_1  L_1       

 **************************************************************************

 **************************************************************************

                    xk=(   0.20000,   0.20000,   0.20000  )

     Band symmetry, C_3v (3m)   point group:

     e(  1 -  1) =     -5.28483  eV     1   --> A_1  L_1       
     e(  2 -  2) =      3.22191  eV     1   --> A_1  L_1       
     e(  3 -  4) =      5.65990  eV     2   --> E    L_3       
     e(  5 -  5) =      8.50378  eV     1   --> A_1  L_1       
     e(  6 -  7) =      9.63593  eV     2   --> E    L_3       
     e(  8 -  8) =     12.33324  eV     1   --> A_1  L_1       

 **************************************************************************

 **************************************************************************

                    xk=(   0.30000,   0.30000,   0.30000  )

     Band symmetry, C_3v (3m)   point group:

     e(  1 -  1) =     -4.65923  eV     1   --> A_1  L_1       
     e(  2 -  2) =      1.40425  eV     1   --> A_1  L_1       
     e(  3 -  4) =      5.31879  eV     2   --> E    L_3       
     e(  5 -  5) =      8.13848  eV     1   --> A_1  L_1       
     e(  6 -  7) =      9.80320  eV     2   --> E    L_3       
     e(  8 -  8) =     13.84469  eV     1   --> A_1  L_1       

 **************************************************************************

 **************************************************************************

                    xk=(   0.40000,   0.40000,   0.40000  )

     Band symmetry, C_3v (3m)   point group:

     e(  1 -  1) =     -3.89098  eV     1   --> A_1  L_1       
     e(  2 -  2) =     -0.10176  eV     1   --> A_1  L_1       
     e(  3 -  4) =      5.10242  eV     2   --> E    L_3       
     e(  5 -  5) =      7.90028  eV     1   --> A_1  L_1       
     e(  6 -  7) =      9.67884  eV     2   --> E    L_3       
     e(  8 -  8) =     13.95935  eV     1   --> A_1  L_1       

 **************************************************************************

 **************************************************************************

                    xk=(   0.50000,   0.50000,   0.50000  )

     zone border point and non-symmorphic group 
     symmetry decomposition not available

 **************************************************************************