[CPMD-list] (no subject)

[cdy2000 at vip.sina.com]

Hello, everybody

    I want to calculate the bulk modulus by CPMD, using the keyword DENSITY CUTOFF NUMBER, the erroe info is:
CPU TIME FOR INITIALIZATION:                        8.24 SECONDS
 RORTHO:DIFGAM=                      nan ITER =           31 >           30
        MAXIMUM NUMBER OF ITERATIONS EXCEEDED
 STOPGM! STACK OF MAIN CALLS:
 STOPGM! CALL    FORCEDR
 STOPGM! CALL     POSUPA
 STOPGM! CALL     RORTOG


 PROGRAM STOPS IN SUBROUTINE RORTOG|  

How to solve the problem?

Thanks for any help

Sincerely Cao Dayong

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