[Wien] SPACE GROUP DOES NOT CONTAIN INVERSION

[Dr. K. C. Bhamu]

Dear Prof. Peter
During the initialisation of a functionalised hexagonal 2D structure, I am
getting the below message.

SPACE GROUP DOES NOT CONTAIN INVERSION
 Angle Gamma is exactly 120. degrees.
 If this is supposed to be a hexagonal lattice, *STOP and put  H  lattice
type*
 alpha(3) .gt. 91.0; reset to 90.1
0.0u 0.0s 0:00.01 0.0% 0+0k 0+224io 0pf+0w


Is this a type of error? Should I put "H" lattice type of may continue?


Wishing you all a very Happy New Year!!!

Cheers ...!!!

Sincerely

Dr. K. C. Bhamu
(UGC-Dr. D. S. Kothari Postdoc Fellow)
Department of Physics
Goa University, Goa-403 206
India
Mob. No.  +91-9975238952
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