Dear Wien2k and Boltztrap users and Developers
Greetings from me. Plz help me.
I am working with Boltztrap using Wien2k.
I used following steps
1. SCF calculations have been converged with wien2k
2. I copied case.struct and case.energy fro wien2k working directory of
compound and pest into GdFe2 di
Dear Wien2k developers
I want to calculate the electron density on a Hexagonal supercell of
Bi2Se3, with wien version 14.2 .
Typically , I select one layer perpendicular c-crystallography and
accomplish El.Dense completely, finally select the “rhoplot” and tick
“3D-plot” to draw 3D-electron densi
On 07/21/2016 09:51 AM, Wen Fong Goh wrote:
> Hi Elias, I have tried out the current development version and it
> reports no error, except it asked for case.inwfup and dn, which I assume
> can be copied from case.inwf. So do you think the current wien2k package
> should be updated with this wien2wa
3 matches
Mail list logo