[Wien] Regarding moniclinic structure

kalsoom Khan kkkhan.queen at yahoo.com
Thu Nov 7 12:00:53 CET 2013


Dear All
i possess some problem in making the structure file for the monoclinic symetry for the space group 12. I put the correct valves but i get this 


error: beta = 116.641000  and not equal 90. Exiting now.
diff: Hg3S2Bi2Cl6.outputsgroup: No such file or directory
diff: Hg3S2Bi2Cl6.outputsgroup1: No such file or directory
error: beta = 116.641000  and not equal 90. Exiting now.
0.000u 0.000s 0:00.00 0.0%      0+0k 0+0io 0pf+0w
error: command   /home/azam1/WIEN2k111-lopw/sgroup -wi Hg3S2Bi2Cl6.struct -wo Hg3S2Bi2Cl6.struct_sgroup  -set-TOL=0.00001   failed


 so what should i do, please help me.
with regards
Kalsoom
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