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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