Bandstructure Problem vasp5.2

Message

neo · #1 Post by **neo** » Fri Jan 28, 2011 6:06 pm

hi
So far i was using vasp4.6. and i was comfortable with it. Now i am trying to use newer version vasp5.2. Initially i struggled with it's compilation but finally it's done now. The scf cycles goes well as in vasp4.6 but the band structure it yields is not good. The results obtained with vasp4.6 are different than those with vasp5, vasp5.2 and vasp5.528.

First notable thing is number of steps in vasp5 for band structure calculation which sometimes exceeds 60 whereas in vasp4.6 it's only 15.

If someone of you have done band structure calculation with vasp5 or higher version please help.

Thanks & Regards
Ashutosh

#2 Post by **admin** » Mon Jan 31, 2011 11:58 am

this issue has been discussed in the forum already, please search

neo · #3 Post by **neo** » Wed Feb 02, 2011 3:38 am

ok thanks a lot