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error using yambo-3.4.2
Posted: Fri Jun 03, 2016 7:11 am
by davood
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.
Re: error using yambo-3.4.2
Posted: Fri Jun 03, 2016 10:36 am
by Daniele Varsano
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