[Pw_forum] plotband.x

Luke Thulin lukethulin at netscape.net
Mon Jun 12 18:39:08 CEST 2006


I was making a mistake with the plotband.x input file, I had 
accidentally deleted the line with the ticks and reference energy 
values.  The example 5 seems to have chosen the reference energy to be 
equal to the Fermi energy.  Is the Fermi Energy calculated and stored 
somewhere so that I can do the same?  I currently just set those values 
to zero.

Thanks,
Luke

giannozz at nest.sns.it wrote:

>On Friday 09 June 2006 23:28, Luke Thulin wrote:
>
>  
>
>>My calculation seems to go well until the final plotband.x command
>>(I'm basically following example 5 as a template) when I get this:
>>
>>At line 103 of file error.f90
>>Traceback: not available, compile with -ftrace = frame or -ftrace=full
>>    
>>
>
>this error is issued by the g95 compiler, I think, and means that yous 
>program ended with an error status. You need to look at the output 
>of plotband.x first.
>
>Paolo
>  
>
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