calculation take long time for screening
Posted: Thu Mar 21, 2013 2:29 pm
i do gw correction for ZnO and i am calculating KSS and SCR file for GW
but
section of calculation screening :calculation of susceptibility and dielectric matrices or creating SCR file take a long time
computer have running for 3 days and it is not finish .
i suspect that this problem is originate from high values of ecut , ecutwfn , ecuteps
may be there is different source of problem , so i wrote this message
thak you for help
this is my in file
this is my in file
but
section of calculation screening :calculation of susceptibility and dielectric matrices or creating SCR file take a long time
computer have running for 3 days and it is not finish .
i suspect that this problem is originate from high values of ecut , ecutwfn , ecuteps
may be there is different source of problem , so i wrote this message
thak you for help
this is my in file
this is my in file