how to use dosanalyze on selected atoms

Vasp transition state theory tools

Moderator: moderators

Post Reply
princessotes
Posts: 1
Joined: Tue Oct 12, 2010 1:12 am

how to use dosanalyze on selected atoms

Post by princessotes »

Hi,

Can someone tell me how to find the d-band center of selected atoms using the dosanalyse.pl script. After splitting all the atoms using the split_dos script, I typed dosanalyze.pl DOS1 DOS2 a, I get an error. IS it possible to select atoms and find the d-band center?

Kemi
Top
Post Reply

Return to “VTSTTools”