[Pw_forum] Erro in cdiagh or cdiaghg

[Sergey Lisenkov]

Dear PWscf authors and users,

I got an error 'in cdiagh or cdiaghg'. Following the manual, I use 'cg' algoritm, but the error was the same. From 'diis' algoritm I got:

     iteration #  1     ecut=    38.00 ryd     beta=0.30
     DIIS style diagonalization
 -0.733560672689102713E-02

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from diis_step : error #         1
      negative norm in S 
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%


Any hints?,

  Sergey