Re: [Wien] Need help - Installation steps for BoltzTraP

Hi Gavin Thank you, It helped and I am able to run Boltztrap, however I get factorization error. Even as I attempt with the highest possible K points, same error continues... Could you advice On Thu, Jan 22, 2015 at 2:26 PM, Gavin Abo gs...@crimson.ua.edu wrote: It does sound like a

[Wien] Fwd:

Dears all: Recently I have calculated density matrix for bcc-iron using WIEN2k. In case.dmatup for atom 1 and l=2, there should be a 5 by 5 matrix, with m labelling the column and row. As I know, there should not be nondiagonal element for when we integrate the density matrix within the atomic