[Wien] Calculation of Properties in Complex Case

[Peter Blaha]

I dont't know if I understood you correctly,but:

Do NOT copy case.in2c to case.in2 manually and run   x lapw2 !!

If the setup found it is a complex case, you need to use the complex 
versions of the program (lapw1c, lapw2c), which you get by using the -c 
switch. So you should use:    x lapw2 -c

Otherwise the program may run, but it is all wrong.

> 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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