[Wien] optimize problem

Jyoti Thakur jyotidft at gmail.com
Fri Apr 25 12:29:51 CEST 2014


Respected Prof. Blaha & WIEN developers/users

I am doing  2D-optimization of the hexagonal structure Mg as test
calculation. I have followed the instructions of faq on WIEN2k site
regarding it. But in my calculations, I am not getting the necessary output
file i.e. case.outputeos file.
The 2Doptimize.job file used by me for optimization is enclosed for
reference.
Please suggest me what changes in 2Doptimize.job should I made for non
magnetic optimization? Thanks in advance.

Warm regards
-- 
--------------------------
Jyoti Thakur
Research Scholar
Department of physics
kurukshetra university
Kurukshetra-136119, (Haryana) INDIA
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