[Q-e-developers] Bug fix in pwi2xsf.f90

[Tone Kokalj]

Dear Ikutaro

Thank you for providing the patch. The pwi2xsf.f90 was corrected
accordingly (in SVN), along with some other changes/fixes.

Best regards, Tone Kokalj
-- 
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
(tel: +386-1-477-3523 // fax: +386-1-251-9385)


On Tue, 2016-12-13 at 00:43 +0900, Ikutaro Hamada wrote:
> Dear Q-E developers,
> 
> I have found that PW/tools/pwi2xsf.f90 does not work properly when
> ATOMIC_POSITIONS crystal
> is used.
> 
> I have made minor modification to pwi2xsf.90 as attached (modified
> pwi2xsf.f90 and patch).
> It is also modified so that it omits blanks, because VESTA does not
> display the crystal structure correctly, when the xsf file contains
> blanks.
> 
> Best,
> Ikutaro
> 
> —
> Ikutaro Hamada
> Center for Green Research on Energy and Environmental Materials
> (GREEN)
> National Institute for Materials Science (NIMS)
> 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan
> 
> Phone: +81-29-860-4798
> Fax: +81-29-860-4706
> E-mail: HAMADA.Ikutaro at nims.go.jp
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