[Wien] c/a ratio optimization

박지훈 firstchannel8 at gmail.com
Tue Oct 6 19:09:07 CEST 2009


Dear users,


I am trying to optimize c/a ratio with constant volume. The structure is
tetragonal, and it is magnetic material.

I specified the structure changtes as below
-10
-5
0
+5
+10

and
When it comes to magnetic material, do I have to choose either "x dstart
-up" or "x dstart -dn"?
Can I not use both of them at the same time?

#          x dstart    -up   #  -c

I removed the first #. Do I have to remove the second # too?

I do not know why I only get errors.
If anybody know what my problem is, please teach me.


All my best,
Jihoon Park
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