[CPMD-list] subroutine LSD_GGAX | NOT PROGRAMMED

cdy2000 at vip.sina.com cdy2000 at vip.sina.com
Mon Sep 29 15:21:39 CEST 2003


Hello everybody!

  When I am optimizing GEOMETRY, using keyword LSD and MULTIPLICITY, the error output file is 
    ================================================================
 =                  GEOMETRY OPTIMIZATION                       =
 ================================================================
 NFI      GEMAX       CNORM           ETOT        DETOT      TCPU
 EWALD SUM IN REAL SPACE OVER  1* 1* 1 CELLS
 STOPGM! STACK OF MAIN CALLS:
 STOPGM! CALL    FORCEDR
 STOPGM! CALL     FORCES
 STOPGM! CALL    VOFRHOB
 STOPGM! CALL      GCLSD


 PROGRAM STOPS IN SUBROUTINE LSD_GGAX| NOT PROGRAMMED

I want to know how to solve the problem?

Thanks for any help

Sincerely Cao Dayong
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