Search found 3 matches

by lijunlhc
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!
by lijunlhc
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!
by lijunlhc
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...