[Wien] x w2w error in WIEN2k.14

[Yue-Wen Fang]

Hi, Elias,

Thanks for your prompt reply. I modified the number of band indices to
accommodate more bands in the step of ‘write_inwf’. Great thanks for you
help.

Bests
Fang

2015-10-29 17:36 GMT+08:00 Elias Assmann <elias.assmann at gmail.com>:

> On 10/29/2015 10:25 AM, Yue-Wen Fang wrote:
> > I am encountering another question in the case of 4-atom CoO. To say in
> > detail, if I input too many projections (eg. 7 projections) in the step
> > of "init_w2w", the program would crash and say that "write_inwf: too
> > many projections, 7 > 6". How can I add more bands to projections?
>
> “Too many projections” means nproj > nbands; this is not possible.
>
> To have nproj < nbands (disentanglement), simply select more bands in
> the first step of ‘write_inwf’.
>
> --
> Elias Assmann
> Institute of Theoretical and Computational Physics
> TU Graz                   ⟨https://itp.tugraz.at/⟩
>
>
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-- 
------------------------------------------------------------------------------------------------------------
Yue-Wen FANG, PhD candidate
East China Normal University  <http://english.ecnu.edu.cn/>
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