Posted by José Cortés on January 02, 2014 at 08:36:08:
In Reply to: Normalization of the molecular orbital coefficients involving symmetry in the calculation posted by José Jara on December 26, 2013 at 20:34:36:
THE PROBLEM IS SOLVED:
Coefficients between these files differ by a factor.
The factor depends only on the number of atoms of the same type related by symmetry
Normalization factor = 1/SQRT(number of atoms of the same type related by symmetry)