[CPMD-list] PROGRAM STOPS IN SUBROUTINE SOLVE

[Nisanth Nair]

Dear cpmd users,

   I have a problem during the geometry optimization of TiO2 bulk. The program 
stops in SOLVE during wavefunction optimization after a few geometry 
optimization steps. I have used preconditioned DIIS for the wavefunction 
optimization. The error message looks like as below. Can you please help me 
in finding why it happens?

 39  2.935E-05   1.860E-06    -180.627420   -2.193E-07      0.82
 SOLVE! INFO= 10


 PROGRAM STOPS IN SUBROUTINE SOLVE| DO NO SUCCEEDED IN SOLVING [PROC=   0]
 SOLVE! INFO= 10


 PROGRAM STOPS IN SUBROUTINE SOLVE| DO NO SUCCEEDED IN SOLVING [PROC=   1]
 SOLVE! INFO= 10


 PROGRAM STOPS IN SUBROUTINE SOLVE| DO NO SUCCEEDED IN SOLVING [PROC=   2]
 SOLVE! INFO= 10


 PROGRAM STOPS IN SUBROUTINE SOLVE| DO NO SUCCEEDED IN SOLVING [PROC=   3]
 SOLVE! INFO= 10


 PROGRAM STOPS IN SUBROUTINE SOLVE| DO NO SUCCEEDED IN SOLVING [PROC=   4]
 SOLVE! INFO= 10


 PROGRAM STOPS IN SUBROUTINE SOLVE| DO NO SUCCEEDED IN SOLVING [PROC=   5]
 SOLVE! INFO= 10


 PROGRAM STOPS IN SUBROUTINE SOLVE| DO NO SUCCEEDED IN SOLVING [PROC=   6]
 SOLVE! INFO= 10


 PROGRAM STOPS IN SUBROUTINE SOLVE| DO NO SUCCEEDED IN SOLVING [PROC=   7]


Thanking you,

Nisanth