Dear all
During the GW calculation i received the strange ERROR:
size_goed_fft : ERROR-
nbest = 65537
is larger than any allowable FFT
Does anyone knows the origin of this error?
My input, output and log file are attached to this e-mail.
Any suggestions will be appreciated
thanks
a strange ERROR for GW calculations
Moderators: maryam.azizi, bruneval
a strange ERROR for GW calculations
- Attachments
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gn-bilayer.in- (5.52 KiB) Downloaded 324 times
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- gn-bilayer.log
- (94.55 KiB) Downloaded 321 times
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- gn-bilayer.out
- (92.32 KiB) Downloaded 310 times
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gabriel.antonius
- Posts: 58
- Joined: Mon May 03, 2010 10:34 pm
Re: a strange ERROR for GW calculations
Hi,
I believe there is some bug with the setup of the fft meshes for large cells.
Here is a work-around. Look in the log for a sensible fft mesh to use. Then can set the fft mesh manually with e.g.
fftgw 00
ngfft 24 24 180
I believe there is some bug with the setup of the fft meshes for large cells.
Here is a work-around. Look in the log for a sensible fft mesh to use. Then can set the fft mesh manually with e.g.
fftgw 00
ngfft 24 24 180
Gabriel Antonius
Université du Québec à Trois-Rivières
Université du Québec à Trois-Rivières