[Wien] Calculation of Properties in Complex Case

[Konstantin Nefedev]

Dear all,

I am calculating the antiferromagnetic structure Pnma, after constructing of
the supercell struct file with P type of lattice. The programme has defined
that it is complex case.

The simple copying of case.in2c to case.in2 allows to calculate only
electron density.

How is it possible to calculate properties such as band structure, dos,
x-ray specter in complex case?


Regarding,
Konstantin.
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