[Wien] Regarding Time reduce in the scf cycle

AJAY SINGH VERMA ajay_phy at hotmail.com
Mon Nov 6 11:23:07 CET 2017


Dear Sir,

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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