Hi
Dear Dr. Daniele Varsano
I am using Version 3.4.2 Revision 93. After GW calculations, I want to use 'ypp -s b' for the bands interpolation.
But no more output in o.bands-sp1 file.
error using yambo-3.4.2
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error using yambo-3.4.2
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Dept. of Physics,Faculty of Science,Iran.
- Daniele Varsano
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Re: error using yambo-3.4.2
Dear davood,
this means that the interpolation was not done. You should look at the standard output in order to guess where it stopped.
Anyway, I noticed that you generated the ypp input using the 4.0.1 version and then you used the 3.4.2.
Please note that for the band interpolation there is a variable with different name in the two versions:
4.0.x
3.4.2
If the problem persists please post the standard output of the ypp run.
Best,
Daniele
this means that the interpolation was not done. You should look at the standard output in order to guess where it stopped.
Anyway, I noticed that you generated the ypp input using the 4.0.1 version and then you used the 3.4.2.
Please note that for the band interpolation there is a variable with different name in the two versions:
4.0.x
Code: Select all
%QPkrange # generalized Kpoint/Band indices
1| 91| 1| 11|
%
Code: Select all
% BANDS_range
1 | 11 | # Bands Range
%
Best,
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/