I did the tests and it is working fine now. Thank you very much for the help!
Regards,
Empty gw.unsorted.eig file
Moderators: Davide Sangalli, andrea marini, Daniele Varsano
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- Posts: 72
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Re: Empty gw.unsorted.eig file
MSc. Bruno Cucco
PhD Candidate
CNRS Institut des Sciences Chimiques de Rennes, France
Université de Rennes 1
https://iscr.univ-rennes1.fr
PhD Candidate
CNRS Institut des Sciences Chimiques de Rennes, France
Université de Rennes 1
https://iscr.univ-rennes1.fr
-
- Posts: 72
- Joined: Tue Dec 08, 2020 11:16 am
Re: Empty gw.unsorted.eig file
Hello!
Although that problem was solved that way, there is something that still quite weird to me. I ran my yambo calculation again, now including QP corrections from bands 1|100, just because I wanted to verify something. Then I did a DFT wannierization on top of a nscf run with also nbnd=100.
Opening the pb.eig generated by pw2wannier I can see that I have now 100 entries for bands running from 1 to 64 since I did on a 4x4x4 grid. The problem is that when I copy the .nnkp file and run the ypp to get the gw.unsorted.eig it is showing me just 51 bands, and the 1 to 64 index is correct. My question is why is it showing me just 51 bands? This time I'm not excluding bands with exclude_bands, my num_bands is 100(same from nscf) and num_wann is 26. Am I missing something?
Regards,
Although that problem was solved that way, there is something that still quite weird to me. I ran my yambo calculation again, now including QP corrections from bands 1|100, just because I wanted to verify something. Then I did a DFT wannierization on top of a nscf run with also nbnd=100.
Opening the pb.eig generated by pw2wannier I can see that I have now 100 entries for bands running from 1 to 64 since I did on a 4x4x4 grid. The problem is that when I copy the .nnkp file and run the ypp to get the gw.unsorted.eig it is showing me just 51 bands, and the 1 to 64 index is correct. My question is why is it showing me just 51 bands? This time I'm not excluding bands with exclude_bands, my num_bands is 100(same from nscf) and num_wann is 26. Am I missing something?
Regards,
MSc. Bruno Cucco
PhD Candidate
CNRS Institut des Sciences Chimiques de Rennes, France
Université de Rennes 1
https://iscr.univ-rennes1.fr
PhD Candidate
CNRS Institut des Sciences Chimiques de Rennes, France
Université de Rennes 1
https://iscr.univ-rennes1.fr