[Wien] Error in initialising GGA+U

[Xavier Rocquefelte]

Dear Shakeel

You must create two files when initializing a GGA+U (or LDA+U) 
calculation, i.e. case.inorb and case.indm (or case.indmc if no 
inversion center in the space group).

Normally when you start such a calculation from the w2web interface, the 
interface open a template file to allow you to create properly the 
case.indm file.

How did you proceed? Look at the userguide and the manual of Pawel Novak 
in the website. You will find more information.

Cheers

Xavier


Le 02/08/2016 à 09:27, Shakeel Khandy a écrit :
>
> Dear Users,
>
>
> I have tried to run the GGA+U on FeVTiAl, After running a normal GGA 
> cycle i initialised for GG+ U, But it showed an error message as
> Can't read file FeVTiAl_u.indmc.
>
> Only *FeVTiAl.inorb* file is created and then .indm is missing
>
> Please help me to sort out this
>
> With Kind Regards
> Shakeel
>
>
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