[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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