[xcrysden] Error parsing AXSF file

[Lorenzo Paulatto]

In data 13 maggio 2009 alle ore 15:28:15, Tone Kokalj <tone.kokalj at ijs.si>  
ha scritto:
> The problem is the concatenation of many pw.x output files into one. The
> pwo2xsf.sh then finds more than find instance of CELL_PARAMETERS record
> and mistakenly thinks it is a variable-cell output file and creates an
> invalid variable-cell XSF file (this one should have same number of
> PRIMVEC and PRIMCOORD sections).
>

Ok, thank you Tone, in practice it only seldom happens.

> The solution is easy: delete all but one instance of PRIMVEC sections
> from the AXSF file (also delete the index suffix after the PRIMVEC
> keyword).

Thanks, this is easy&fast to do.

regards


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Lorenzo Paulatto
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