Ordinary_command
mpirun $PW_EXEC -nk 4 < input > ./report
rm pwscf.wfc*
rm pwscf.save/wfc*
check the energy convergence:
grep "! total energy" report
get contcar
awk '/Begin final coordinates/,/End final coordinates/{print $0}' report
rm pwscf.wfc*
rm pwscf.save/wfc*
check the energy convergence:
grep "! total energy" report
get contcar
awk '/Begin final coordinates/,/End final coordinates/{print $0}' report