[Pw_forum] xcrysden error:***.rx.in is not pwscf input file

[xu yuehua]

about the format in my inputfile,you see a whitespace,it is just
effect here ,in my compute,it is rather in order .i can enclose it if you
could accept it .



2007/11/27, Tone Kokalj <tone.kokalj at ijs.si>:
>
>
> On Tue, 2007-11-27 at 21:19 +0800, xu yuehua wrote:
> > ok .i will put my ***.rx.in here :i put it into XCRYSDEN.BUT
> > THE ERROR SAYS::**,rx.in is not pwscf input file !
>
> On my computer  xcrysden says:
>
> invalid number: incomprehensible list input
> apparent state: internal I/O
> lately reading sequential formatted internal IO
>
> Luckily xcrysden is picky enough to complain against your input file,
> because there is typo therein. In particular:
>
> > ATOMIC_POSITIONS { crystal }
> >  H    0.1102739014   -0.0774290299    0.6115517241
> >  H    0.1389927901   -0.0435013455    1.0285862069
> >  H   -0.1054664601    0.0215451112    0.6018620690
> >  H   -0.1078330245   -0.0413062600    0.2584827586
> >  H   -0.1324189999    0.1241055395    1.0127586207
> >  H   - 0.0719001157    0.1095391668    0.5982068966
>
> Notice the whitespace after minus sign for last x-coordinate:
> - 0.0719001157
>
> Regards, Tone
>
>
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-- 
Xu Yuehua
physics Department of Nanjing university
China
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