Hello,
I ask you to tell me is what Abinit calculates the absorbance of visible radiation of a periodic material using Ab initio methods
Thank you very much
Search found 3 matches
- Sun Aug 31, 2014 10:27 pm
- Forum: Response calculations
- Topic: calculation of absorbance of visible radiation
- Replies: 1
- Views: 2483
- Thu Nov 08, 2012 9:19 pm
- Forum: Ground state
- Topic: error in my Input file for band structure calculation of ZnO
- Replies: 7
- Views: 6033
Re: error in my Input file for band structure calculation of
thanks very much David for your help, it works very well, thanks
- Wed Nov 07, 2012 10:30 pm
- Forum: Ground state
- Topic: error in my Input file for band structure calculation of ZnO
- Replies: 7
- Views: 6033
error in my Input file for band structure calculation of ZnO
Dear all I am trying to obtain the band structure plot for wurtzite ZnO using the following input file, But it seemed to be wrong. please help where I am wrong. Thank you for your kindness. Best regards. # ZnO wurzite (hexagonal) structure # Computation of the band structure. ndtset 2 #Dataset 1 : u...