Electric field applied band structure

Questions of type "How do I calculate xxx ?"
(Open discussion, limited support from the helpdesk.)

Moderators: Global Moderator, Moderator

Electric field applied band structure

Postby biswajit@ball » Wed May 23, 2018 7:49 am

How to get electric field applied band structure in vasp and which INCAR tag control it?

I have done first geometry optimisation and scf calculation. Next take CHGCAR from scf and put in INCAR ICHRG = 11 LDIPOL = .TRUE. IDIPOL = 3 EFIELD = 0.3 eV/A but did not get desired result. What is the relation between eV/A and V/nm?
Posts: 4
Joined: Thu Jan 11, 2018 6:17 am

Return to Physics questions

Who is online

Users browsing this forum: Google [Bot] and 1 guest