[Pw_forum] conjugate gradient diagonalization

Jaita Paul jaita at jncasr.ac.in
Wed Jun 1 16:08:35 CEST 2005


hello everyone,

i'm using conjugate gradient diagonalization scheme.and i have this msg.
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from c_bands : error #         1
     CG and DIIS diagonalization not implemented
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

why is it coming?and what shud i do so that it does not come?
thanks in advance!
Jaita



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