[Pw_forum] Possible bug in Modules/wypos.f90

Xiao Kaijian c2dxk at nus.edu.sg
Wed Dec 21 11:03:24 CET 2016


Dear Fountains (from whom jobs originate),

The Wyckoff positions that seem to should be '3a'
of space groups 152 and 153, seems to be typo'ed
into '31' instead of '3a'. Is this a legitimate
typo, or is it intentional?

Using QEv6

Regards,
Grovelling User,
KaiJian Xiao
Centre for Advanced 2D materials,
National University of Singapore

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