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)
