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ERROR: BAD DELOCALIZED COORDINATES GENERATED!!!

Siddheshwar Chopra
sidhusai@gmail.com


Dear Sir,
The sample under consideration is a Bilayer Graphene. I am getting the following error message. Please help.

ERROR: BAD DELOCALIZED COORDINATES GENERATED!!!
       912 PRIMITIVE INTERNAL COORDINATES ARE BEING USED.
       372 LINEARLY INDEPENDENT COMBINATIONS OF THESE ARE FOUND.
       378 COORDINATES ARE NEEDED TO HAVE A TOTAL OF 3N-6 OR 5.

IF THE NUMBER OF LINEARLY INDEPENDENT COOORDS IS TOO SMALL,
ADD SOME COORDINATES BY -NONVDW- TO CONNECT MONOMER PIECES
(ESPECIALLY IF YOU ARE SHORT BY A MULTIPLE OF 6), OR ELSE
USE -IXZMAT- TO ADD EXTRA PRIMITIVE COORDINATES.

IF THE NUMBER OF LINEARLY INDEPENDENT COOORDS IS TOO BIG,
TRY USING -IRZMAT- TO REMOVE SOME PRIMITIVE COORDINATES.

     THE FOLLOWING IS DEBUGGING INFORMATION.
TO BE KEPT, A DLC EIGENVALUE MUST EXCEED  1.0000E-05
THE FIVE LARGEST EIGENVALUES DISCARDED=
  6.2707E-15  7.1173E-15  7.7720E-15  8.2766E-15  1.1734E-14
THE FIVE SMALLEST EIGENVALUES KEPT    =
  1.4306E-02  1.4343E-02  1.9159E-02  1.9213E-02  2.1531E-02

ADDRESS 0x0048AC4D HAS INITIATED PROGRAM ABORT BECAUSE OF FATAL ERROR(S)

                        TIMING STATISTICS ON NODE 0:
CPU        TIME:   STEP =      0.92 ,  TOTAL =        1.0 SECONDS (    0.0 MIN)
WALL CLOCK TIME:   STEP =      0.99 ,  TOTAL =        1.0 SECONDS (    0.0 MIN)
CPU UTILIZATION:   STEP =     92.67%,  TOTAL =      97.39%

   13771035 WORDS OF    DYNAMIC MEMORY USED
EXECUTION OF FIREFLY TERMINATED ABNORMALLY AT 12:36:34  5-JUL-2013    


Regards,


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