[gpaw-users] transport calculations
jingzhe Chen
jingzhe.chen at gmail.com
Tue Nov 16 04:15:04 CET 2010
Hi, Torsten,
It is my bad not to update the document in time. In the script, you
change the foot_print to True, then you get the analysis_data file.
Best regards.
Jingzhe
2010/11/15 Torsten Hahn <der.hahn.torsten at googlemail.com>
>
> following the tutorial for transport calculation at
> https://wiki.fysik.dtu.dk/gpaw/documentation/transport/negftransport.html i
> was wondering how i can get the analysis part working.
>
> As stated in the docu you need:
> - 'a transport calculation is done successfully and the directory
> analysis_data and some files in it are generated'
>
> How can this be done? After running the example (see attached file) i get
> only an empty 'analysis_data' dir.
> (gpaw version: '0.7.2.exportiert')
>
> Thanks for all hints,
> Torsten.
>
>
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