Search found 3 matches
- Thu Jun 19, 2014 10:15 am
- Forum: Ground state
- Topic: How can I get the orbital wave functions from abinit?
- Replies: 0
- Views: 1643
How can I get the orbital wave functions from abinit?
Now I need the orbital wave functions. For example, the 3s, 3d wave functions and so on. If you know, please tell me. Thank you very much!
- Mon Mar 10, 2014 3:49 pm
- Forum: Ground state
- Topic: Can abinit calculate positron band structure?
- Replies: 0
- Views: 1481
Can abinit calculate positron band structure?
I have known the positron program can calculate positron lifetime. Now I want to know whether abinit can calculate positron band structure. Thank you!
- Tue Feb 18, 2014 9:21 pm
- Forum: Ground state
- Topic: question about output potentials [SOLVED]
- Replies: 1
- Views: 3082
question about output potentials [SOLVED]
Now I need to calculate the ground state of electrons about some materials, especially the potentials. Abinit output files about potentials are like _POT, _VXC, Hartree. _POT includes local pseudopotentials, exchange correlation potentials and Hartree potentials. I know the local pseudopotentials ex...