Dear developers:
In my BSE calculation, sometimes I found in the log file:
[WARNING]Exchange FFT size is too big. RL vectors reduced to ...
I want to kwon if this warning does matter? And the RL reduced to some value according to waht rule?
Thanks!
Exchange FFT size is too big
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sdwang
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Daniele Varsano
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Re: Exchange FFT size is too big
Dear Shudong,
it should be because you have set exchange G vector bigger than the
vector used in the oscillator calculation (FFTGvecs), so it is consistently
set to the FFTGvecs value. If it matters or not, it depends on the considered
values, and you should check it.
Daniele
it should be because you have set exchange G vector bigger than the
vector used in the oscillator calculation (FFTGvecs), so it is consistently
set to the FFTGvecs value. If it matters or not, it depends on the considered
values, and you should check it.
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/