[Wien] (no subject)

[Sahar Shahmoradi]

Dear wien2k users 
I am working on  geo2
compound, in alpha-quartz phase .I calculated it’s elnes k-edge properly but
for it’s  elnes m45-edge I faced a
problem and this error appears.
Error:rotdef -
no symmetry operation found.
rotdef - for
jatom, index 1 3                                                                                                                                                             
;                       
rotdef -
atomposition of jatom   0.4449880   0.0000000   0.3333333                                                                                                                                               
rotdef -
atomposition of index   0.5550120   0.5550120   0.0000000 
 I used this input
file innes: 
 Germinage m45
edge of first atom. 
1
3 2
30.00
200
0.0000 30.0000
0.0500
13.00 2.00
5 2
0.10
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