PITTSBURGH SUPERCOMPUTING CENTER

CPMD Example

Example files include:

cpmd.pbs, pbs script.
inp-1, input data for first run.
out.1, CPMD output for first run.
inp-2, input data for second run
out.2, CPMD output for second run
O_MT_PBE, input data
H_MT_PBE, input data
cpmd.out, standard output and error