[Wien] wien2wannier error

[Elias Assmann]

On 06/13/2013 09:42 AM, Fecher, Gerhard wrote:
> Recently I was playing with BerryPI and realizd that not all Versions work together straight forward.
> The latest BerryPI Version was not working together with wien2wannier 0.96 and Wien2k_12
>
> one thing was that one of the routines was looking for case.klist_w90 ut berry PI creates only case.klist.
> This can be solved by copying the files or by changing the wien2wannier 0.96 script back to use case.klist.

Just a brief comment on "klist_w90" (unfortunately I know nothing 
whatsoever about BerryPI): The different "klists" "kgens" and 
"outputkgens" that wien2wannier tries to maintain can be confusing.  In 
particular, I understand "klist_w90" as a backup of the k-mesh that was 
used for the projection; the "case.klist" may be changed later on if you 
do a Hamiltonian interpolation / woptic calculation / Wien-SCF / ...

	Elias