Search found 3 matches

by alexzai
Wed Jun 03, 2015 1:39 pm
Forum: Ground state
Topic: Problem DFT+U vector magnetization
Replies: 5
Views: 4235

Re: Problem DFT+U vector magnetization

Thank you for the fast answer

But i have used linear response method, not RPA and i did not know, that in GW calculation is the same problem.

Best regards
Alexander
by alexzai
Tue Jun 02, 2015 7:48 pm
Forum: Ground state
Topic: Problem DFT+U vector magnetization
Replies: 5
Views: 4235

Re: Problem DFT+U vector magnetization

Thank you for the answer. The problem is definition of U-parameter in antiferromagnetic system with spin-orbit coupling. At calculation of U-parameter with spin-orbit-coupling the result consist of zeros and arises errors in .out file: "Matrix response chi_0 is singular Probably too many symmet...
by alexzai
Tue Mar 17, 2015 3:37 pm
Forum: Ground state
Topic: Problem DFT+U vector magnetization
Replies: 5
Views: 4235

Problem DFT+U vector magnetization

Hallo

In new ABINIT 7.10.4 version remain the same problems with calculation of U-correction with nspden=4. :(

Best regards
Alex