Dear Abinit users,
Hello;
i start to calculate the band structure of CdSe by using GGA norm-conserving, so i have a problem in my results, how i solve it ?
thanks a lot
M.Hocine
band structure of CdSe
Moderator: bguster
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M.Hocine TEDJINI
- Posts: 17
- Joined: Tue Jun 30, 2015 4:49 am
band structure of CdSe
- Attachments
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CdSe_bs.in- input file
- (2.9 KiB) Downloaded 271 times
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- my results
- Band structure of CdSe.png (15.45 KiB) Viewed 2275 times
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M.Hocine TEDJINI
- Posts: 17
- Joined: Tue Jun 30, 2015 4:49 am
Re: band structure of CdSe
Dear Abinit users,
Hello,
i use my calculation of the band structure of CdSe by using GGA norm-conserving but now i change ndvism2 20 to ndivk2 10 10 10 10 10, so i have another band structure but with a same Eg and with 5 segments ( see the picture of band structure of CdSe).
thanks a lot
M.Hocine
Hello,
i use my calculation of the band structure of CdSe by using GGA norm-conserving but now i change ndvism2 20 to ndivk2 10 10 10 10 10, so i have another band structure but with a same Eg and with 5 segments ( see the picture of band structure of CdSe).
thanks a lot
M.Hocine
- Attachments
-
- band structure of CdSe
- CdSe_bs.outD.jpg (48.47 KiB) Viewed 2231 times