double-grid (dg) analysis for BSE

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double-grid (dg) analysis for BSE

Postby sitangshu » Mon Nov 06, 2017 11:52 am

Dear Alejandro,

Thanks for your reply. (The last thread is not prompting any reply button :roll: )
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
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Sitangshu Bhattacharya
Indian Institute of Information Technology-Allahabad
India
Web-page: http://profile.iiita.ac.in/sitangshu/
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sitangshu
 
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Re: double-grid (dg) analysis for BSE

Postby amolina » Mon Nov 06, 2017 12:12 pm

Hi,
can you try diagonalization?
A.
Alejandro Molina-Sánchez
Physics and Materials Research Unit
Campus Limpertsberg
Université du Luxembourg
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Re: double-grid (dg) analysis for BSE

Postby sitangshu » Mon Nov 06, 2017 12:16 pm

Dear Alejandro,

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/
sitangshu
 
Posts: 90
Joined: Thu Jan 05, 2017 8:08 am

Re: double-grid (dg) analysis for BSE

Postby sitangshu » Wed Nov 08, 2017 7:43 am

Dear Alejandro,

Any suggestions....? :roll:

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/
sitangshu
 
Posts: 90
Joined: Thu Jan 05, 2017 8:08 am


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