[Pw_forum] Error on calculation GS cp.x?

[Paolo Giannozzi]

On Oct 21, 2006, at 12:28 , Nguyen Ngoc Ha wrote:

> I used cp.x to calculation ground state firstly [...]
>
> But I received error output:
> [...]
>      from  dspev_drv  : error #        60
>       diagonalization failed

for the first steps you should either use a smaller time step
or orthogonalization = 'Gram-Schmidt'

Paolo