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
calculation take long time for screening
Moderators: maryam.azizi, bruneval
calculation take long time for screening
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ZnO.in
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Re: calculation take long time for screening
my computer configuration
intel xeon 3 ghz E5450 (have 4 core ) , 16 gb memory , system is ubuntu , abinit 6.0.2
being old version of abinit make a trouble ??
intel xeon 3 ghz E5450 (have 4 core ) , 16 gb memory , system is ubuntu , abinit 6.0.2
being old version of abinit make a trouble ??