[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_______________________________________________
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Best regards,
Lyudmila


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