[Pw_forum] How to plot bands perfectly with plotband.x?

Andrea Dal Corso dalcorso at sissa.it
Tue Sep 4 14:18:23 CEST 2012


Now use plotband.x on bands-down-lsym.dat. Plotband.x reads also
the .rap file and produces several files that you can plot with 
a graphical program.

Andrea


On Tue, 2012-09-04 at 20:12 +0800, Yue-Wen Fang wrote:
> I have use this way you said before, but  just got two files
> name bands-down-lsym.dat.rap and  bands-down-lsym.dat. 
> What's more this flag lsym=.true. costs much more time in computing
> obviously with 4 processors.
> 
>  PID USER      PR  NI  VIRT  RES  SHR S %CPU %MEM    TIME+  COMMAND
>                                        
>  2800 fyw       16   0 77416  33m 3332 R 89.9  0.2   5:53.96 bands.x
>                                           
>  2834 fyw       16   0 76864  33m 3092 R 89.6  0.2   5:46.15 bands.x
>                                           
>  2863 fyw       16   0 76344  33m 3092 R 89.6  0.2   5:48.02 bands.x
>                                           
>  2805 fyw       16   0 76992  33m 3092 R 86.9  0.2   5:34.04 bands.x 
> 
> 2012/9/4 Andrea Dal Corso <dalcorso at sissa.it>
>         You can try the flag lsym=.true. as input of bands.x and plot
>         all the
>         files that are produced by plotband.x.
>         
>         HTH,
>         
>         Andrea
>         
>         On Tue, 2012-09-04 at 18:04 +0800, Yue-Wen Fang wrote:
>         > Dear all,
>         >
>         >
>         > I plotted a bands diagram with plotband.x, but there is some
>         chaos in
>         > the diagram (namely the output file bands.ps).  The diagram
>         was put in
>         > the this website:
>          http://www.douban.com/group/topic/32502443/
>         > I also tried to save the bands.xmgr as bands.dat and load it
>         to
>         >  origin 8.0 and Xmgrace, but all failed. The problem still
>         emerged.
>         > How to fix this program and curb the problem?
>         >
>         >
>         > Best Regards!
>         >
>         >
>         > --
>         > ----
>         > Yue-Wen Fang
>         >
>         >
>         >
>         >
>         >
>         
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>         --
>         Andrea Dal Corso                    Tel. 0039-040-3787428
>         SISSA, Via Bonomea 265              Fax. 0039-040-3787249
>         I-34136 Trieste (Italy)             e-mail: dalcorso at sissa.it
>         
>         
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> 
> 
> 
> -- 
> ----
> Yue-Wen Fang
> 
> 
> 
> 
> 
> 
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-- 
Andrea Dal Corso                    Tel. 0039-040-3787428
SISSA, Via Bonomea 265              Fax. 0039-040-3787249
I-34136 Trieste (Italy)             e-mail: dalcorso at sissa.it





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