#!/bin/bash                                                                     
#PBS -r n                                                                       
#PBS -l walltime=4:00:00                                                        
#PBS -l procs=8                                                                 
#PBS -l pmem=2000mb                                                             

module load python/2.7.9-intel
module load shengbte/1.1.0

cd $PBS_O_WORKDIR

thirdorder_espresso.py CeO.in sow 4 4 4  -3 CeO_sc.in