Johari, Priya wrote: > It seems that the wavefunction coefficients are not normalized
sure they are. For US PP and PAW, <\psi|S|\psi> is normalized Paolo -- Paolo Giannozzi, Democritos and University of Udine, Italy
Johari, Priya wrote: > It seems that the wavefunction coefficients are not normalized
sure they are. For US PP and PAW, <\psi|S|\psi> is normalized Paolo -- Paolo Giannozzi, Democritos and University of Udine, Italy