Question about eigenvalues

Problems running VASP: crashes, internal errors, "wrong" results.


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
mrm
Newbie
Newbie
Posts: 20
Joined: Mon Jul 07, 2008 2:24 am

Question about eigenvalues

#1 Post by mrm » Sat Aug 16, 2008 5:44 pm

Dear All,

When doing band structure calculations, is there a way to tell VASP how many bands I want? In other words, can I request how many eigenvalues (for each k-point) are written to the EIGENVAL file? Presently I only get six for each k-point with my system but I would like more. I searched this forum, on google, and also in the VASP manual but could not find anything.

Your help is much appreciated.
Last edited by mrm on Sat Aug 16, 2008 5:44 pm, edited 1 time in total.

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

Question about eigenvalues

#2 Post by admin » Mon Aug 18, 2008 7:44 am

please give NBANDS in INCAR
Last edited by admin on Mon Aug 18, 2008 7:44 am, edited 1 time in total.

mrm
Newbie
Newbie
Posts: 20
Joined: Mon Jul 07, 2008 2:24 am

Question about eigenvalues

#3 Post by mrm » Sun Aug 24, 2008 7:27 pm

Excellent. Thank you for your help.
Last edited by mrm on Sun Aug 24, 2008 7:27 pm, edited 1 time in total.

Post Reply