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GW ICE Ih Band Corrections

Posted: Thu Jan 23, 2014 4:11 pm
by vitoversace
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 ???

Bests
Vito
tgw1_1.in
(6.41 KiB) Downloaded 453 times

Re: GW ICE Ih Band Corrections

Posted: Wed Feb 05, 2014 1:40 am
by gmatteo
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 ?