Running DOS calculations a single k-point at a time.

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


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
camilo
Newbie
Newbie
Posts: 21
Joined: Fri Jun 22, 2007 11:29 pm

Running DOS calculations a single k-point at a time.

#1 Post by camilo » Tue Aug 11, 2009 9:13 pm

I am simply trying to follow the instructions posted at the following site:

http://cms.mpi.univie.ac.at/vasp/vasp/node229.html

And I've come across a problem: getdos.f refuses to compile. There are also statements made by 'Admin', where it appears that its functionality has been incorporated into the more recent versions of VASP.

I appreciate any and all suggestions!
Last edited by camilo on Tue Aug 11, 2009 9:13 pm, edited 1 time in total.

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

Running DOS calculations a single k-point at a time.

#2 Post by admin » Mon Oct 12, 2009 3:10 pm

if you use vasp.4.X, you do not have to use these packages, they have been implemented in the program.
Last edited by admin on Mon Oct 12, 2009 3:10 pm, edited 1 time in total.

Post Reply