[xcrysden] << Reading XYZ file >>

I. Camps i_camps at yahoo.com.br
Tue Sep 15 18:10:20 CEST 2009


Hello all!

I would like to know which is the file format for reading XYZ coordinates
from a file.

I used the same format that works with PWgui without success.

Here is the PWgui format:

ATOMIC_POSITIONS angstroms
Si -0.69570 3.71840 3.71840
Si -1.51140 0.69570 1.51140
Si -3.71840 1.51140 2.90270
Si -2.90270 2.90270 0.69570
Fe -2.81310 3.80800 2.81310
Fe -3.80800 0.60610 0.60610
Fe -1.60100 1.60100 3.80800
Fe -0.60610 2.81310 1.60100

[]'s,

Camps
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