[CPMD-list] unknown error message

[Jin Zhao]

Dear All,
      I'm trying to do a calculation of TiO2 using CPMD3.7. And it
doesn't converge for more than 600 circles. So I added the keyword:
PCG MINIMIZE, this time I got an error message like:
 ****************************************************************

 CPU TIME FOR WAVEFUNCTION INITIALIZATION:          41.82 SECONDS
 ***    RWFOPT| THE NEW SIZE OF THE PROGRAM IS  123744 kBYTES ***
 EWALD SUM IN REAL SPACE OVER  1* 1* 1 CELLS
 STOPGM! STACK OF MAIN CALLS:
 STOPGM! CALL     K_FORC
 STOPGM! CALL     K_PCGR


 PROGRAM STOPS IN SUBROUTINE k_pcgrad| Line Search not implemented yet
************************************************************************

I'm a rather beginner of CPMD. I really appreciate for any suggestions.

Best
Jin Zhao