Dear Yambo developers,
I would like to get GW correction to QP just for particular k points and bands. If I specify more than 6 lines for QPkrange the code crashes. The part of working input looks like:
%QPkrange # [GW] QP generalized Kpoint/Band indices
1| 14| 1| 14|
15| 15| 1| 14|
29| 29| 1| 14|
43| 43| 1| 14|
57| 57| 1| 14|
71| 71| 1| 14|
%
I would like to include more lines like:
85| 85| 1| 14|
99| 99| 1| 14|
113|113| 1| 14|
etc.
Best,
Could we have more multiple lines for QPkrange?
Moderators: myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
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- Posts: 26
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Could we have more multiple lines for QPkrange?
Martin Gmitra, PhD
University of Regensburg, Germany
University of Regensburg, Germany
- Daniele Varsano
- Posts: 4213
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: Could we have more multiple lines for QPkrange?
Dear Martin,
I'm not aware about that, we will take a look.
Anyway you can split them in more calculations and then merge databases using ypp.
Best,
Daniele
I'm not aware about that, we will take a look.
Anyway you can split them in more calculations and then merge databases using ypp.
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/
- Daniele Varsano
- Posts: 4213
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: Could we have more multiple lines for QPkrange?
Dear Martin,
we checked and should be any limitations to the lines inserted in the input.
Can you post your complete input/report/error?
Best,
Daniele
we checked and should be any limitations to the lines inserted in the input.
Can you post your complete input/report/error?
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/