[Wien] nn-bonglength factor

박지훈 firstchannel8 at gmail.com
Fri Aug 7 04:09:54 CEST 2009


I am Jihoon Park, a graduate in University of Alabama.
It is so nice that I can ask questions by e-mail; I am struggling to learn
WIEN2K.
First of all, I want to say Thank you for this opportunity.
I started to use WIEN2K 2 month ago. I have too many questions but this time
I want to ask only one thing.

I am running wien version 08.2 with operating system Linux.

My questions is
I am trying to calculate Magnetic Moment of BaFe12O19. I have drawn the
structure from "StructGen".
But when I tried to do "initialize calc.", I could not do this from the
beginning: nn-bondlength factor.
It says that it is usually=2. I tried from 1 to 100. But I only got Error
and WARNINGs.

I wnat to know what the problem is...



All my best,


Jihoon Park.
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