[Wien] Basic information

Dear Wien2K users I am simulating one quaternary semiconductor Cu2ZnSnS4. I am currently facing QTLB- error problem with with Cu atom. I have changed parameter as per your suggestion given in the frequently asked question. So i modified RMT value, Lmax , E parameter and also i also redued the RMT

[Wien] wien2wannier

Dear Elias, I want to plot the wannier f orbitals for Yb doped inverse spinel ferrite. I have performed the spin polarized calculation. Can you please give some suggestions how to choose the origin of in this system? The case.woutup file is written below. Final State WF centre and

Re: [Wien] ana2D_lapw freezes

Hard to help. All I can recommend at the moment is to change the first line of ana2D_lapw and switch on debugging. #!/bin/csh -fx This will give you a long (and rather unlcear) output on the screen, but you should be able to find the line where it hangs. On 06/16/2016 12:40 PM, Marcelo