How to plot the wave function at Gamma

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


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
baknoo
Newbie
Newbie
Posts: 4
Joined: Sat Mar 03, 2007 2:33 am
License Nr.: 676
Location: South Korea

How to plot the wave function at Gamma

#1 Post by baknoo » Mon Jul 09, 2007 2:24 pm

Does VASP plot the wave function at Gamma point?
I have frequently plotted the partial charge density of a specific band, i.e. PARCHG....

Now I want to plot the Kohn-Sham orbital at Gamma with a phase (+/- sing in the wave function).

Could any body tell me whether VASP does such job ?
Last edited by baknoo on Mon Jul 09, 2007 2:24 pm, edited 1 time in total.

admin
Administrator
Administrator
Posts: 2921
Joined: Tue Aug 03, 2004 8:18 am
License Nr.: 458

How to plot the wave function at Gamma

#2 Post by admin » Sun Jul 15, 2007 7:04 pm

no, the wavefunctions are never plotted in vasp.
Last edited by admin on Sun Jul 15, 2007 7:04 pm, edited 1 time in total.

Post Reply