[Wien] question for case.inst

Yongsheng Zhang zhang at fhi-berlin.mpg.de
Fri Dec 14 10:07:02 CET 2007


Dear all,

Now I try to understand case.inst file. In my case.inst file, it is,

Pd
Kr 3 5
4, 2,2.0  N
4, 2,2.0  N
4,-3,3.0  N
4,-3,2.0  N
5,-1,1.0  N
5,-1,0.0  N

In the second line, "Kr 3 5", it is no problem to understand "Kr" and
"3", which are well defined in the usersguide. But for the number "5",
there is no any explanation in the usersguide. Would you please tell me
its meaning?
BTW: My wien2k version is WIEN2k_04.6.

Thanks and regards,
Zhang

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