[Pw_forum] Possible bug in Modules/wypos.f90

Paolo Giannozzi p.giannozzi at gmail.com
Wed Dec 21 12:47:46 CET 2016

It's a bug (thank you for reporting it) but it was already fixed. The
correct version can be found (together with several other fixes) here:


On Wed, Dec 21, 2016 at 11:03 AM, Xiao Kaijian <c2dxk at nus.edu.sg> wrote:
> 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
> ________________________________
> Important: This email is confidential and may be privileged. If you are not the intended recipient, please delete it and notify us immediately; you should not copy or use it for any purpose, nor disclose its contents to any other person. Thank you.
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum

Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

More information about the users mailing list