On Fri, 2014-02-21 at 23:51 +0900, Pourya Ayria wrote:
> CELL_PARAMETERS{angstrom}
there is a missing space between CELL_PARAMETERS and {angstrom}
> 10.8000 1.2471 0
> 4.3200 9.9766 0
> 0.0 0.0 6.7
> ATOMIC_POSITIONS {angstrom}
> C 0 0 0
> C 0 0 6.7
these two atoms are overlapping
P.
--
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
