Search found 1 match
- Fri May 20, 2011 10:10 am
- Forum: Link to other codes
- Topic: PAW files and lattice constants
- Replies: 0
- Views: 2322
PAW files and lattice constants
Hi: I am trying to generate some PAW files. It is not working as expected for some elements, and as a test, I went back to the basics. I tried to get the equilibrium lattice constants reported in the 'ABINIT table' for PAW data, for the elements C, N and O, using the PAW files of the table. This wen...