[Wien] sgroup question

I'm not an expert in sgroup, but yes, I believe the printed names of all monoclinic spacegroups which have different names for the unique axis c (vs. b) are not correct and I'll change them to B or b (instead of C or c) As far as I know, it does not affect anything else then the comment in the

[Wien] sgroup question

Sorry Manu, but I think in WIEN2k it is more comlicated: It is of course true that WYCKPOS offers just two choices for SG 12: C2/m:unique axis b with a centering of (1/2,1/2,0) C2/m:unique axis c (0,1/2,1/2) However, WIEN2k requires for monoclinic centered lattices a

[Wien] sgroup question

Gavin Abo wrote: Dear Prof. Blaha and developers, I believe the attached struct file has appropriate parameters for the 12_B2/m spacegroup. After I run x sgroup in w2web in Wien2k 12.1, it says sgroup found: 12 (C 2/m) [unique axis c] cell choice 2. I suppose that its most likely