[Wien] SCF cycle stuct in LAPW1

Lyudmila Dobysheva lyu at otf.pti.udm.ru
Mon Sep 28 11:10:25 CEST 2009


On Monday 28 September 2009 11:14:32 Arun Kr. Chatterjee wrote:
> LAPW1. It takes abnormally long time ~ 60 mts and LAPW1 is not even
> completed,

This reminds me my case that I had written about few weeks ago. It was 
concerned with parallel over k-points calculation only, you didn't write 
which is your case: parallel or not. If yes, try to recompile lapw1 with 
changing the last line        
from      STOP ' LAPW1 END'
to          STOP

The same may be necessary for lapw2.
If it helps please write.

Best regards
Lyudmila Dobysheva
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