GW ICE Ih Band Corrections

GW, Bethe-Salpeter …

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vitoversace
Posts: 5
Joined: Mon Jan 20, 2014 1:42 pm

GW ICE Ih Band Corrections

Post by vitoversace » Thu Jan 23, 2014 4:11 pm

Hi all,

i am doing some gw band correction calculations on Ice Ih.
But gw log file gets stuck at this point "m_wfs.F90:5106:COMMENT Changing FFT mesh" and the calculation runs and runs, ... No end in sight.

Do i have some thing wrong in my input file ???

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Vito
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gmatteo
Posts: 291
Joined: Sun Aug 16, 2009 5:40 pm

Re: GW ICE Ih Band Corrections

Post by gmatteo » Wed Feb 05, 2014 1:40 am

It may be due to an out-of-memory problem. Use gwmem 10

btw: awtr2 0 # Note : the default awtr 1 is better

Why don't you use awtr2 1 ?

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