no there is nothing! This thing is driving me crazy!!!<br><br><div class="gmail_quote">On Tue, Mar 24, 2009 at 1:57 PM, Gabriele Sclauzero <span dir="ltr"><<a href="mailto:sclauzer@sissa.it">sclauzer@sissa.it</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div class="im"><br>
<br>
Pieremanuele Canepa wrote:<br>
> I tried to do as you suggested me (removing the call to the subroutine<br>
> and recompiling), what I get if I try to run it is:<br>
>   Program POST-PROC v.4.0.4  starts ...<br>
>      Today is 24Mar2009 at 10:55:52<br>
> It seems that nothing works...<br>
<br>
</div>Why do you think that nothing works? I think that in the serial version without symmetry<br>
analysis this is the only output given by bands.x on stdout.<br>
You should find your bands in the filband file. Is it there?<br>
<br>
GS<br>
<div class="im"><br>
> Do you have any suggestion?<br>
> Cheers, Piero<br>
><br>
> On Tue, Mar 24, 2009 at 7:54 AM, Gabriele Sclauzero <<a href="mailto:sclauzer@sissa.it">sclauzer@sissa.it</a><br>
</div><div><div></div><div class="h5">> <mailto:<a href="mailto:sclauzer@sissa.it">sclauzer@sissa.it</a>>> wrote:<br>
><br>
><br>
><br>
>     Pieremanuele Canepa wrote:<br>
>      > Dear all,<br>
>      > I am attempting  to figure out how to print out a bands graph of<br>
>     my AFM<br>
>      > hematite.<br>
>      > Then I prepared the file <a href="http://band.in" target="_blank">band.in</a> <<a href="http://band.in" target="_blank">http://band.in</a>><br>
>     <<a href="http://band.in/" target="_blank">http://band.in/</a>> as explained in<br>
>      > /Doc/INPUT_Band<br>
>      > and I attached it down here<br>
>      > &INPUTPP<br>
>      > prefix='band_BLYP',<br>
>      > outdir='/home/pc229/backup/<br>
>      > Counts/PWscf/Fe2O3_bulk/PWSCF/Fe2O3_bulk/opt_bulk_BLYP/',<br>
>      > filband='band_BLYP.out',<br>
>      > /<br>
>      ><br>
>      > if try to run it using bands.x  I will get in my output file the<br>
>      > following error:<br>
>      >  Program POST-PROC v.4.0.4  starts ...<br>
>      >      Today is 23Mar2009 at 18:56:50<br>
>      ><br>
>      ><br>
>      %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
>      >      from bands : error #         1<br>
>      >      The bands code with constrained magnetization has not been<br>
>     tested<br>
>      ><br>
>      %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
>      ><br>
>      >      stopping ...<br>
><br>
>     You are trying to use bands.x with a feature that has not been<br>
>     tested (as the message<br>
>     says). If you trust what you are doing, you can simply comment the<br>
>     corresponding call to<br>
>     errore subroutine in bands.f90 and recompile. You may want to test<br>
>     it before doing serious<br>
>     calculations.<br>
><br>
>     If you simply need it to extract the eigenvalues from a scf/nscf<br>
>     pw.x calculations (using<br>
>     no_overlap=.TRUE.) I think it should be safe, but if you need it to<br>
>     reorder bands or do a<br>
>     symmetry analysis of bands (lsym=.TRUE.) you should be careful and<br>
>     double-check results.<br>
><br>
>     Cheers<br>
><br>
>     GS<br>
><br>
><br>
><br>
>      ><br>
>      > So, what I am suppose to do ?  How can I print my bands??<br>
>      > Thank you, Piero<br>
>      ><br>
>      > --<br>
>      > Pieremanuele Canepa<br>
>      > Room 230<br>
>      > School of Physical Sciences, Ingram Building,<br>
>      > University of Kent, Canterbury, Kent,<br>
>      > CT2 7NH<br>
>      > United Kingdom<br>
>      > --------------------------------------------------------<br>
>      ><br>
>      ><br>
>      ><br>
>     ------------------------------------------------------------------------<br>
>      ><br>
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><br>
>     --<br>
><br>
><br>
>     o ------------------------------------------------ o<br>
>     | Gabriele Sclauzero, PhD Student                  |<br>
>     | c/o:   SISSA & CNR-INFM Democritos,              |<br>
>     |        via Beirut 2-4, 34014 Trieste (Italy)     |<br>
</div>>     | email: <a href="mailto:sclauzer@sissa.it">sclauzer@sissa.it</a> <mailto:<a href="mailto:sclauzer@sissa.it">sclauzer@sissa.it</a>><br>
<div class="im">>               |<br>
>     | phone: +39 040 3787 511                          |<br>
>     | skype: gurlonotturno                             |<br>
>     o ------------------------------------------------ o<br>
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><br>
><br>
><br>
><br>
> --<br>
> Pieremanuele Canepa<br>
> Room 230<br>
> School of Physical Sciences, Ingram Building,<br>
> University of Kent, Canterbury, Kent,<br>
> CT2 7NH<br>
> United Kingdom<br>
> -----------------------------------------------------------<br>
><br>
><br>
> ------------------------------------------------------------------------<br>
><br>
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<br>
--<br>
<br>
<br>
o ------------------------------------------------ o<br>
| Gabriele Sclauzero, PhD Student                  |<br>
| c/o:   SISSA & CNR-INFM Democritos,              |<br>
|        via Beirut 2-4, 34014 Trieste (Italy)     |<br>
| email: <a href="mailto:sclauzer@sissa.it">sclauzer@sissa.it</a>                         |<br>
| phone: +39 040 3787 511                          |<br>
| skype: gurlonotturno                             |<br>
o ------------------------------------------------ o<br>
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</div></div></blockquote></div><br><br clear="all"><br>-- <br>Pieremanuele Canepa<br>Room 230<br>School of Physical Sciences, Ingram Building,<br>University of Kent, Canterbury, Kent,<br>CT2 7NH<br>United Kingdom<br>-----------------------------------------------------------<br>
<br>