[Wien] Potential bug with initso_lapw in version 18.2

[Peter Blaha]

Hi,

I cannot verify this problem. In my tests I always get a proper and 
complete in2c file.

Can you send me privately your struct file and describe your 
magnetization direction, where the problem occurs.

Am 03.07.2019 um 04:51 schrieb Huseyin Ucar:
> Dear Developers,
> 
> I was having similar problems to what is described in the mail below:
> 
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07758.html
> 
> Basically, when I do initso_lapw, and wanted to use the new structure 
> for SO calculations, the case.in2c file was causing the lapw2 to crash. 
> I did realize that the reason is because the case.in2c file is not 
> taking the GMAX value from case.in2 at all. I had to manually enter it 
> myself into case.in2c after initso_lapw is done. I want to emphasize it 
> again: case.in2c does not have the GMAX at the last row only when you 
> accept the new structure for SO calculations.
> 
> The question I would have at this point is: Will I need to manually fix 
> the case.in2c from this point on, or is there a patch I can use to fix 
> this issue once and for all. I also want to add that this particular 
> problem does not occur in the older versions.
> 
> Best,
> 
> Ucar
> 
> 
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