Search found 2 matches
- Tue Jun 10, 2014 7:04 pm
- Forum: Ground state
- Topic: Character of wave functions in Si
- Replies: 0
- Views: 1718
Character of wave functions in Si
Hi, I am looking at WFs in Si near the Gamma point. For k-points very close to each other but in different directions, the character of the WF changes dramatically. I would expect the WF to evolve slowly and continuously as a function of k (within the same band) even in different directions, not abr...
- Fri Aug 10, 2012 8:24 pm
- Forum: Improving ABINIT
- Topic: Print XC energy density
- Replies: 0
- Views: 3038
Print XC energy density
Hi Developers, I would like to modify the code just slightly to print out the XC energy density that can be analyzed by cut3d in a similar fashion to printing VHA or VXC. I think this should be an easy change for someone who knows the code well (not me - yet). I'm not quite sure where this would go....