[Wien] case.in2 missing, how to generate it?

[Javad Hashemifar]

> Why? (There is no complex calculation in this session). Any suggestion is
> highly appreciated. Can I use "case.in2c" to calculate DOS?
> It is no problem to generate the "case.in2" for the other systems with
> high
> symmetry. I have used space group P1 to build the magnetic structure for
> CaFeO3, total 20 atoms in the unit cell. Please see the attached case.struct.

Clearly, there is no inversion symmetry operation in your struct file and
therefore your calculations should be complex.
Best regards,
Javad Hashemifar

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Javad Hashemifar                                      phone : ++49-30-8413 4804
Permanent : Physics Department, Isfahan University of Technology, Isfahan, Iran
Current : Fritz-Haber-Institut der MPG, Faradayweg 4-6, D-14195 Berlin, Germany
e-mails:  hashemi at fhi-berlin.mpg.de          &          hashemifar at ph.iut.ac.ir
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