[gpaw-users] get_all_electron_ldos in lcao

Torsten Hahn torstenhahn at fastmail.fm
Thu Nov 15 11:42:18 CET 2012


Hi,

is there a way for LCAO-mode calculations to use the get_all_electron_ldos function?

If you give the function-argument wf_k other than 'None', the functions fails (see. pDOS example on the GPAW-Website) due to the fact that kpt.psit_nG is not set in LCAO mode?

Is there a workaround ?

Best regards,
Torsten.


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