Yambo-py warning: Wrong serial number for ./SAVE/ndb.QP

Deals with issues related to computation of optical spectra in reciprocal space: RPA, TDDFT, local field effects.

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sitangshu
Posts: 193
Joined: Thu Jan 05, 2017 8:08 am

Yambo-py warning: Wrong serial number for ./SAVE/ndb.QP

Post by sitangshu » Sun Feb 26, 2017 9:03 am

Dear Sir,

While doing a BSE solution using the yambo py script for Si, I am getting a warning in the external QP corrections (X) and (K):

[04.01] External QP corrections (X)
===================================


[WARNING]Wrong serial number for ./SAVE/ndb.QP
[RD./SAVE/ndb.QP]-------------------------------------------

.
.
.
[04.02] External QP corrections (K)
===================================


[WARNING]Wrong serial number for ./SAVE/ndb.QP

What I did is the following: I ran a GW under PPA computation and after that linked the ndb.qp file obtained from GW to BSE input file. Please let me know if I am doing wrong here.. Attached is the reference file and the input file.

Regards,
Sitangshu
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Sitangshu Bhattacharya
Indian Institute of Information Technology-Allahabad
India
Web-page: http://profile.iiita.ac.in/sitangshu/
Institute: http://www.iiita.ac.in/

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Daniele Varsano
Posts: 4198
Joined: Tue Mar 17, 2009 2:23 pm
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Re: Yambo-py warning: Wrong serial number for ./SAVE/ndb.QP

Post by Daniele Varsano » Sun Mar 05, 2017 8:30 am

Dear Sitangshu,
please note that your post is not related to the yambo-py interface. Try to post in the right subforum, in this case Running-Yambo, Linear Response.
This is because if the threads are in the right places can be searched more easily and useful for all the community.

The warning you get means the your GW calculations has be done with a different SAVE directory than the one you are using for the BSE, or you changed something as running again p2y.

If you the two calculations were done on the same system this is not a problem, the code just warn you about that.
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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