[Wien] x w2w error in WIEN2k.14

Elias Assmann elias.assmann at gmail.com
Tue Oct 27 10:36:56 CET 2015


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On 10/27/2015 10:31 AM, Yue-Wen Fang wrote:
> BTW, the band structure (subdir.spaghetti_ene) was written.

This is from Wien2k's ‘spaghetti’ rather than Wannier90.

> $  ~/fang/v1/subdir 17:46:20 >x wannier90 wannier90 error: examine
> the output/error file for details 0.009u 0.007s 0:00.05 0.0%
> 0+0k 0+0io 3pf+0w
> 
> *At the end of the file "subdir.wout", it said that *

This seems okay, but you say nothing about the /error/ file.  Is there
a ‘subdir.werr’, and what does it contain?

> *Then, "vi subdir.nnkp" was used to check the contents of nnkp
> file. This file contained many k-points. But the official guide
> said that position and spread of the WF’s should be written in 
> subdir.wout, in my case, this part of data was missing. Have you 
> ever encountered this problem?*

‘nnkp’ is an auxiliary file generated by ‘wannier90.x -pp’, see
Wannier 90 UG.


	Elias


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