error using yambo-3.4.2

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davood
Posts: 29
Joined: Tue Apr 12, 2011 8:07 am

error using yambo-3.4.2

Post by davood » Fri Jun 03, 2016 7:11 am

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.
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Dept. of Physics,Faculty of Science,Iran.

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Daniele Varsano
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Re: error using yambo-3.4.2

Post by Daniele Varsano » Fri Jun 03, 2016 10:36 am

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

Code: Select all

%QPkrange                    #  generalized Kpoint/Band indices
  1| 91|  1| 11|
%
3.4.2

Code: Select all

% BANDS_range 				
1 | 11 | 		#		Bands Range
% 
If the problem persists please post the standard output of the ypp run.

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/

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