[Wien] (Problems of dstart (empty case.clmsum)
Mehmood, Faisal
faisal at phys.ksu.edu
Fri Feb 3 16:31:10 CET 2006
> Is your case.inst file consistent with your case.struct file
Both file are consistent. I have also checked with grep ATOM case.rsp
after lstart. It gives me information about all 33 atoms I have in
struct file. So I suppose it is not the problem. Let me include
case.inst file so if anyone want to try initialization with these two
files.
Pd 1
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
Pd 2
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
Pd 3
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
Pd 4
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
Pd 5
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
Pd 6
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
Pd 7
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
Pd 8
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
Pd 9
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
Pd 10
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
Pd 11
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
Pd 12
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
Pd 13
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
Pd 14
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
Pd 15
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
Pd 16
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
Pd 17
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
Pd 18
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
Pd 19
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
Pd 20
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
Pd 21
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
Pd 22
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
Pd 23
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
Pd 24
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
Pd 25
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
Pd 26
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
Pd 27
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
Pd 28
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
Pd 29
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
Pd 30
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
C 1
He 3 5
2,-1,1.0 N
2,-1,1.0 N
2, 1,1.0 N
2, 1,0.0 N
2,-2,1.0 N
2,-2,0.0 N
O 1
He 3 5
2,-1,1.0 N
2,-1,1.0 N
2, 1,1.0 N
2, 1,1.0 N
2,-2,2.0 N
2,-2,0.0 N
O 2
He 3 5
2,-1,1.0 N
2,-1,1.0 N
2, 1,1.0 N
2, 1,1.0 N
2,-2,2.0 N
2,-2,0.0 N
**** End of Input
**** End of Input
More information about the Wien
mailing list