[molpro-user] Error message for rmp2 calculation for N4 complex

[Bastiaan J. Braams]

Dear Molpro User,

What is this error message?  Anything that I can do about it?

  ?ERROR IN READ_DUMP: DENSITY SET= 2 NOT FOUND IN RECORD    2100.2
 
  THE RECORD CONTAINS THE FOLLOWING RHF DATA:
  ORBITALS/CANONICAL          SET= 1  STATE=  1.1  MS2=0  NELEC= 28
  EIG/CANONICAL               SET= 1  STATE=  1.1  MS2=0  NELEC= 28
  DENSITY/CHARGE              SET= 1  STATE=  1.1  MS2=0  NELEC= 28
  FOCK/TOTAL                  SET= 1  STATE=  1.1  MS2=0  NELEC= 28
  FOCK/OPEN                   SET= 2  STATE=  1.1  MS2=0  NELEC= 28
  GROUP/RHF                   SET= 1  STATE=  1.1  MS2=0  NELEC= 28
  OCC/RHF                     SET= 1  STATE=  1.1  MS2=0  NELEC= 28
 
  ERROR EXIT
  CURRENT STACK:      CIPRO  MAIN

The calculation is for the N4 complex using the rmp2 method; for
the purpose of this demonstration on only the vdz basis.

  ***,TEST
  memory,84,m
  geomtyp=xyz
  geometry
  nosym
   4
    null
   N     -0.01569661   0.43410616  -1.53153823
   N     -0.55420863  -0.11824522   1.55822937
   N      0.01555627  -0.00550399  -0.61845853
   N      0.03193520  -0.02081779   0.61623443
  end
  basis=vdz
  rhf;wf,charge=0,spin=0
  rmp2
  ---

Bas Braams
--
Bastiaan J. Braams
braams at mathcs.emory.edu
Emory University, Atlanta, GA