Dear Daniele :
When I want to know the IBZ kpoints,I find there only have 50 kpoints,and print the "Remaining 224 points informations can be written running with -fatlog".
So what should I do to solve that?please give me some help!
Best wishes
QX
some difference in r_setup when I use the 5.0
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
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some difference in r_setup when I use the 5.0
Quxiao in BIT,calculate the exciton
- Daniele Varsano
- Posts: 4209
- Joined: Tue Mar 17, 2009 2:23 pm
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Re: some difference in r_setup when I use the 5.0
Dear Quixao,
just append -fatlog when running yambo:
Best,
Daniele
just append -fatlog when running yambo:
Code: Select all
yambo -F input -fatlog
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/
-
- Posts: 102
- Joined: Fri Mar 26, 2021 11:27 am
Re: some difference in r_setup when I use the 5.0
Dear Daniele:
I did that with your help and got other hidden points
However,I have other question.In 5.0,I could not find the weight of the Transferred momenta grid.I need that value to analyse something.
Please give me some advice!
Thanks for your help!
Best wishes !
Quxiao
I did that with your help and got other hidden points
However,I have other question.In 5.0,I could not find the weight of the Transferred momenta grid.I need that value to analyse something.
Please give me some advice!
Thanks for your help!
Best wishes !
Quxiao
Quxiao in BIT,calculate the exciton
- Daniele Varsano
- Posts: 4209
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: some difference in r_setup when I use the 5.0
Dear Quxiao,
you can use the ypp utility.
to generate ypp input file:
uncomment ListPts
and run ypp.
You will have in the standard output the q-point list with weights.
Best,
Daniele
you can use the ypp utility.
to generate ypp input file:
Code: Select all
>ypp -k q
and run ypp.
You will have in the standard output the q-point list with weights.
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/
-
- Posts: 102
- Joined: Fri Mar 26, 2021 11:27 am
Re: some difference in r_setup when I use the 5.0
Dear Daniele:
Thanks for your reply!I have got it with your help.
Best wishes
Quxiao
BIT
Thanks for your reply!I have got it with your help.
Best wishes
Quxiao
BIT
Quxiao in BIT,calculate the exciton