[Wien] Error in write_inwf when running init_w2w

Kamil Klier ( Faculty/Staff - Professor Emeritus ) kk04 at lehigh.edu
Wed Jul 22 04:50:13 CEST 2015


Colleagues,

In my first attempt to run wannier, I've encountered the following error 
message triggered by "write_inwf" when running "init_w2w" (without 
quotes):

***********************************************************************************************************

   write_inwf
   File "/work/jspirko/WIEN2k-14.2-20141018/write_inwf", line 145
     except KeyError as e:
                      ^
SyntaxError: invalid syntax

***********************************************************************************************************

The test case was fully converged ZnO. Afterwards, "prepare_w2wdir 
TARGET" generated the expected files in TARGET, cd to TARGET was 
followed by "init_w2w:, x kgen -fbz and x findbands was done, chose 
range Emin = -0.1 eV and Emax = 0.0 eV at VBM, and then "write_inwf" 
gave the above error.

Note 1: wannier90 is installed
Note 2: I have checked the mailing list for a similar error but found 
none.

Any instruction for a fix would be highly appreciated. Why does the 
caret appear in the error message?

Regards,

Kamil Klier


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