[XtalOpt-devel] problems reading in POSCARs

Rudin, Sven P srudin at lanl.gov
Fri Apr 22 15:32:07 PDT 2011


Hello,

I'm really happy you are making your code available! Installing it and getting started was remarkably easy.

The only issue I have (so far) is that I can not load in a structure file to seed a run. The message is simply that there were problems loading the (POSCAR) file. Any help would be appreciated (and make the code even ore useful for us here).

Thanks,
Sven

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Sven P. Rudin
Group T-01, LANL
(505) 500-7789
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TSPA
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