[Pw_forum] molecular orbital

Farzad Molani farzad_c81 at yahoo.com
Sat Jan 22 09:00:40 CET 2011


Hi QE user,
I'm going to study of molecular orbital by QE, How can I study molecular orbital of my system by Quantum Espresso?
with the best regards.

Farzad Molani,
Ph.D Student,
Department of Theoretical Physical Chemistry,
K. N. Toosi University of Technology,
Tehran, Iran.
Tel.: 009891 4442 3308
Tel.: 009821 2306 4280 
Fax: 009821 2285 3650 
Web: http://www.dena.kntu.ac.ir/~fmolani


      
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