U parameter

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

Moderators: Global Moderator, Moderator

U parameter

Postby rrpalanichamy » Thu Dec 29, 2016 3:35 am

I am doing electronic structure calculation for IrMnSn. To include onsite Coulomb interaction, we have tot take Ueff for the 3d-electrons of Mn and another Ueff for the 4f-electrons of Ir atoms. please inform me how to include two U- parameters in INCAR file. What is the tag we have to use in INCAR file?
rrpalanichamy
Newbie
Newbie
 
Posts: 7
Joined: Wed Feb 01, 2012 9:29 pm
Location: Madurai,Tamilnadu,India

Re: U parameter

Postby tfrankcombe » Thu Jan 12, 2017 3:16 am

tfrankcombe
Newbie
Newbie
 
Posts: 13
Joined: Tue Apr 12, 2016 8:19 am


Return to Physics questions

Who is online

Users browsing this forum: No registered users and 1 guest

cron