[Pw_forum] conjugate gradient diagonalization

[Paolo Giannozzi]

Hi Jaita

> i'm using conjugate gradient diagonalization scheme.
> and i have this msg. 
 >      CG and DIIS diagonalization not implemented

The conjugate gradient diagonalization scheme is not implemented
(not in the version of the code available on the web) together with
the 'Gamma tricks', i.e. using the fact that wavefunctions are real
in real space at q=0 to reduce to half the number of G-vectors and
the number of FFT. It is in the CVS version, though

Paolo

-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy