Dear Alejandro,
Thanks for your reply. (The last thread is not prompting any reply button )
I actually did that what you told. However, I am getting the error in the screen shot.
I am tar-ring the BSE report file, double_grid ndb, ndb.qp @ 300K and electron-phonon pw out files. The BSE r-file tells that it has taken the double-grid, but it stops when doing the inversion (-i). Can you please help me out...
Regards,
Sitangshu
double-grid (dg) analysis for BSE
Moderators: palful, amolina, mbonacci
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double-grid (dg) analysis for BSE
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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/
Indian Institute of Information Technology-Allahabad
India
Web-page: http://profile.iiita.ac.in/sitangshu/
Institute: http://www.iiita.ac.in/
- amolina
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Re: double-grid (dg) analysis for BSE
Hi,
can you try diagonalization?
A.
can you try diagonalization?
A.
Alejandro Molina-Sánchez
Institute of Materials Science (ICMUV)
University of Valencia, Spain
Institute of Materials Science (ICMUV)
University of Valencia, Spain
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- Posts: 175
- Joined: Thu Jan 05, 2017 8:08 am
Re: double-grid (dg) analysis for BSE
Dear Alejandro,
I tried using diago, but it is stucking at the same level
Any other tricks?
Sitangshu
I tried using diago, but it is stucking at the same level
Any other tricks?
Sitangshu
Sitangshu Bhattacharya
Indian Institute of Information Technology-Allahabad
India
Web-page: http://profile.iiita.ac.in/sitangshu/
Institute: http://www.iiita.ac.in/
Indian Institute of Information Technology-Allahabad
India
Web-page: http://profile.iiita.ac.in/sitangshu/
Institute: http://www.iiita.ac.in/
-
- Posts: 175
- Joined: Thu Jan 05, 2017 8:08 am
Re: double-grid (dg) analysis for BSE
Dear Alejandro,
Any suggestions....?
Regards,
Sitangshu
Any suggestions....?
Regards,
Sitangshu
Sitangshu Bhattacharya
Indian Institute of Information Technology-Allahabad
India
Web-page: http://profile.iiita.ac.in/sitangshu/
Institute: http://www.iiita.ac.in/
Indian Institute of Information Technology-Allahabad
India
Web-page: http://profile.iiita.ac.in/sitangshu/
Institute: http://www.iiita.ac.in/