[Wien] LDA+U error

Kim Kyoo kyoo at postech.ac.kr
Tue Mar 12 14:39:33 CET 2013


You need case.indmc instead case.indm for complex calculation. Just copy
indm to indmc.

Best
kyoo
2013. 3. 12. 오후 8:10에 "idris.09 idris" <idris.09 at gmail.com>님이 작성:

> Dear wien2k users
>
> I am trying to calculate the band structure of a system and i tried lda+u
> calculation. I could not understand the procedure how to proceed for the
> calculation.
> i simply performed spin polarized calculations, then i copied case.indm
> and case.inorb files from src_templates and then renamed them. when i
> proceed for lda+u calculations cycle ist run well but in second cycle it
> displays
>
> stop error: the required input file lunspor.indmc for the next step could not be found
>
> i am not able to understand this. Please suggest me the possible solutions and correct me if i am wrong.
>
> With regards
>
> Idris
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130312/a895f14e/attachment.htm>


More information about the Wien mailing list