Dear Prof. Blaha,As I could understand ( I sent an email for Mr. Jamal) new
version of IRelast package will support C16 calculations for tetragonal
symmetry which come with new release of WIEN2k.When will you update WIEN2k for
new
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
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
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