Search found 2 matches
- Sat Jul 31, 2010 4:32 am
- Forum: Many-body perturbation theory
- Topic: Problem in screening calculation
- Replies: 3
- Views: 4065
Re: Problem in screening calculation
Hi, I think the kshift is not correct for the GW part. Try to use either 0. 0. 0.5 or 0. 0. 0. and let us know if it's working better. Good luck. Fabien Dear Bruneval, Thank you very much for you reply! If I use 0. 0. 0.5 or 0. 0. 0. , it workd well. But I wanted to do a GW calculation at a common ...
- Fri Jul 30, 2010 4:58 am
- Forum: Many-body perturbation theory
- Topic: Problem in screening calculation
- Replies: 3
- Views: 4065
Problem in screening calculation
Dear all, I do a GW calculation. There is a error about the screening calculation as follows: m_bz_mesh.F90:1683:ERROR Not able to found umklapp G0 vector among ***** vectors Increase mg0sh such as k1-k2 = kf+G0, present value = 25 point1 = 1 0.00000000E+00 0.00000000E+00 1.00000000E-01 point2 = 2 0...