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:
As the error tells you, beta should be 90 not 116.641
[http://zeus.theochem.tuwien.ac.at/pipermail/wien/2010-January/012393.html].
Maybe you have put values for the wrong setting. In Wien2k, you have to
input the values for the B112/m setting
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