[Wien] One possible bug

Peter Blaha pblaha at theochem.tuwien.ac.at
Sat Dec 3 15:06:17 CET 2011


Correct. Should be changed to 3f10.5

Am 03.12.2011 00:59, schrieb yhzhao:
> Dear Prof. Blaha,
>
> There may be a small bug in eosfit.
>
> EOSFIT read lattice constant of .struct file with free format.
> However, if the lattice constant is as:
>
> ----------------------------------------------------------------------------------------------------------------------
> 7.524117 7.524117144.632700 90.000000 90.000000120.000000
> ----------------------------------------------------------------------------------------------------------------------
> it will give I/O errors.
>
> Best,
>
> Yonghong
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-- 
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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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