[Pw_forum] BO dynamics in CP code

Nichols A. Romero naromero at gmail.com
Tue Jan 10 23:57:36 CET 2006


Hi,

This may seem like an odd question to ask, but is one doing BO
dynamics instead of Car-Parinello by setting the following in the CP
input file

electron_dynamics = 'cg'
orthogonzaliation = 'Gram-Schmidt'
tcg = true

Thanks,
--
Dr. Nichols A. Romero, PhD.
1613 Denise Dr. Apt. D
Forest Hill, MD 21050
443-567-8328 (C)
410-306-0709 (O)



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