HELLO
I am a newcomer in vasp code, how to create pseudo-hydrogen fracionaria loads of 1.25 and 1.75 electrons in vasp?
pseudo-hydrogens!
Moderators: Global Moderator, Moderator
-
- Newbie
- Posts: 7
- Joined: Thu Sep 04, 2008 8:58 pm
pseudo-hydrogens!
Last edited by alexandre on Fri Sep 05, 2008 11:11 am, edited 1 time in total.
-
- Administrator
- Posts: 2921
- Joined: Tue Aug 03, 2004 8:18 am
- License Nr.: 458
pseudo-hydrogens!
the pseudopotential generation code is not distributed, without exception. You will find a PP for H1.25 in the pseudopotential data base.
Last edited by admin on Tue Sep 09, 2008 12:54 pm, edited 1 time in total.