[quote="amadon"]Dear Ivan,
The fatbands only works for PAW and for angular momenta for which there are projectors. So you need to built
a new PAW dataset with projectors for higher angular momenta (p, d..).
Best regards
Bernard Amadon[/quote
Thanks a lot, Bernard!
Ivan
Search found 2 matches
- Sat Apr 05, 2014 3:33 am
- Forum: Link to other codes
- Topic: Fatbands in PAW calculations
- Replies: 2
- Views: 3305
- Wed Mar 12, 2014 6:35 pm
- Forum: Link to other codes
- Topic: Fatbands in PAW calculations
- Replies: 2
- Views: 3305
Fatbands in PAW calculations
Dear Colleagues, I am trying to plot PAW fatbands for solid hydrogen using the keyword "pawfatbnd". But for the PAW dataset I use only the contribution with l=0 and m=0 is treated. How can I get the contributions for l>0? Should I generate a new PAW dataset with increased size of the plane...