[Wien] Regarding Time reduce in the scf cycle
Lyudmila Dobysheva
lyuka17 at mail.ru
Mon Nov 6 12:06:01 CET 2017
6 Nov2017, 14:23 +04:00 AJAY SINGH VERMA <ajay_phy at hotmail.com>:
> I am running wien version 16 on a machine of type I3 with operating system ubuntu lunix 16.1.4, fortran compiler ifort. I am running this case (ABX3) (Perovskite structure) .After defining parameters, in the initializing
> the structure total 999 cycle shown. when i start the SCF cycle, it take 25-30 Min in every cycle. How can i reduce this time period or some parallel programming is required. with regards
> Ajay singh verma_______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>
Best regards,
Lyudmila
More information about the Wien
mailing list