roup number to the format PWscf uses.
> > Kind Regards,
> >
> > --
> > GAO Zhe, Dr.,
> > Research Engineer,
> > Gypsum Activity R - Asia,
> > Saint-Gobain Research Shanghai Co., Ltd.,
> > No. 55, Wenjing-road, Minhang-district, Shanghai, China,
> > Tel: +86-21-5475-7251 <+86%2021%205475%207251>
> >
> > At 2016-12-23 16:10:48, "Uttam Paliwal" <uttam...@gmail.com
> [mailto:uttamphy%40gmail.com]> wrote:
> >
> >
> > Hi
> > how to provide crustal space group number (eg 216 for zinc blende
> type)
> > instead of *ibrav* lebel.
> > --
> >
> >
> >
> >
> >
> > ___
> > Pw_forum mailing list
> > Pw_forum@pwscf.org [mailto:Pw_forum%40pwscf.org]
> > http://pwscf.org/mailman/listinfo/pw_forum
> [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
> -- next part --
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> chment-0001.html]
>
> --
>
> Message: 3
> Date: Fri, 23 Dec 2016 23:33:45 +0800 (CST)
> From: "GAO Zhe" <flux_ra...@163.com [mailto:flux_ray12%40163.com]>
> Subject: Re: [Pw_forum] Crystal space group
> To: "PWSCF Forum" <pw_forum@pwscf.org [mailto:pw_forum%40pwscf.org]>
> Message-ID: <5790f99e.fb20.1592c510805.coremail.flux_ra...@163.com
> [mailto:5790f99e.fb20.1592c510805.Coremail.flux_ray12%40163.com]>
> Content-Type: text/plain; charset="gbk"
>
> Hi, Paolo,
>
> Thank you very much.
> I really did not notice this change in versions.
> Best Regards,
>
>
>
> --
> GAO Zhe, Dr.,
> Research Engineer,
> Gypsum Activity R - Asia,
> Saint-Gobain Research Shanghai Co., Ltd.,
>
> No. 55, Wenjing-road, Minhang-district, Shanghai, China,
> Tel: +86-21-5475-7251
>
>
> At 2016-12-23 22:42:49, "Paolo Giannozzi" <p.gianno...@gmail.com
> [mailto:p.giannozzi%40gmail.com]> wrote:
>
> >From the Doc/release-notes file:
>
> New in 5.1.1 version:
> [..]
> * Added possibility to provide structure via space-group number and
> Wyckoff positions
> ---
>
> (5.1.1 was released 2 years ago). Related variables are "space_group"
> and
> the "crystal_sg" option for ATOMIC_POSITIONS. They are explained in the
> documentation
>
>
> On Fri, Dec 23, 2016 at 3:12 PM, GAO Zhe <flux_ra...@163.com
> [mailto:flux_ray12%40163.com]> wrote:
>
> Hi, Paliwal,
>
> You may use the small tool - spacegroup - in ELK package to convert
> space
> group number to ibrav=0 + CELL_PARAMETERS set.
> Or, you could also choose the small code - cif2cell - to complete the
> space
> group number to the format PWscf uses.
> Kind Regards,
>
>
> --
> GAO Zhe, Dr.,
> Research Engineer,
> Gypsum Activity R - Asia,
> Saint-Gobain Research Shanghai Co., Ltd.,
>
> No. 55, Wenjing-road, Minhang-district, Shanghai, China,
> Tel: +86-21-5475-7251
>
>
> At 2016-12-23 16:10:48, "Uttam Paliwal" <uttam...@gmail.com
> [mailto:uttamphy%40gmail.com]> wrote:
>
>
>
> Hi
>
> how to provide crustal space group number (eg 216 for zinc blende
> type)
> instead of ibrav lebel.
>
> --
>
>
>
>
>
>
>
>
>
>
> ___
> Pw_forum mailing list
> Pw_forum@pwscf.org [mailto:Pw_forum%40pwscf.org]
> http://pwscf.org/mailman/listinfo/pw_forum
> [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
> -- next part --
> An HTML attachment was scrubbed...
> URL:
> http://pwscf.org/pipermail/pw_forum/attachments/20161223/d65a1b42/attac
> hment-0001.html
> [http://pwscf.org/pipermail/pw_forum/attachments/20161223/d65a1b42/atta
> chment-0001.html]
>
> ------
>
> Message: 4
> Date: Sat, 24 Dec 2016 09:51:59 +0330
> From: ashkan shekaari <sheka...@gmail.com
> [mailto:shekaari%40gmail.com]>
> Subject: [Pw_forum] time-in-CPMD
> To: pw_forum <pw_f
