Natural orbitals or density matrix with vasp?

Queries about input and output files, running specific calculations, etc.


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
alex
Hero Member
Hero Member
Posts: 586
Joined: Tue Nov 16, 2004 2:21 pm
License Nr.: 5-67
Location: Germany

Natural orbitals or density matrix with vasp?

#1 Post by alex » Mon Jul 23, 2007 1:30 pm

Hi there,

is there a (simple) way to convince vasp to write out the density matrix or even natural orbitals?

Thanks

alex
Last edited by alex on Mon Jul 23, 2007 1:30 pm, edited 1 time in total.
Top
admin
Administrator
Administrator
Posts: 2921
Joined: Tue Aug 03, 2004 8:18 am
License Nr.: 458

Natural orbitals or density matrix with vasp?

#2 Post by admin » Tue Jul 31, 2007 9:28 am

no
Last edited by admin on Tue Jul 31, 2007 9:28 am, edited 1 time in total.
Top
alex
Hero Member
Hero Member
Posts: 586
Joined: Tue Nov 16, 2004 2:21 pm
License Nr.: 5-67
Location: Germany

Natural orbitals or density matrix with vasp?

#3 Post by alex » Wed Aug 01, 2007 7:15 am

Thanks. That was my feeling, too.

alex
Last edited by alex on Wed Aug 01, 2007 7:15 am, edited 1 time in total.
Top
Post Reply

Return to “Using VASP”