[molpro-user] The problem occurs in readm!

[Prashant Kumar]

Dear colleagues,

I would highly appreciate if  someone help me to figur out why this error
is occurring. Here I am trying to do delta HF calculation.

Monomer A wave function in record 2101.2 Monomer A electrostatic potential
in record 1001.3 Monomer B wave function in record 2102.2 Monomer B
electrostatic potential in record 1002.3 Overlap matrix in record 1000.3
Factor for nonlocal exchange: 1.000000 Factor for VWN correlation in ALDA
kernel: 1.000000 Print factor: 0 Density fitting level: 0 Level of
calculation: 3 CPKS solver: 1 CPKS convergence threshold: 0.10000000E-05
CPKS maximumb number of iterations: 50 Occupied space for monomer A: 5
Virtual space for monomer A: 137 Occupied space for monomer B: 9 Virtual
space for monomer B: 133
Transform atomic integrals
 ==========================
 OOVV+OVOV integrals for monomer A

 FILE 1 RECORD    1300 OFFSET=          1. NOT FOUND

 Records on file 1

 IREC   NAME  TYPE        OFFSET    LENGTH   IMPLEMENTATION   EXT   PREV
PARENT  MPP_STATE
   1     500  VAR          8192.   217602.         df          0      0
 0      0
   2     610  BASINP     225794.     8192.         df          0      0
 0      0
   3     700  GEOM       233986.    30044.         df          0      0
 0      0
   4     900  SYMINP     264030.      628.         df          0      0
 0      0
   5     950  ZMAT       264658.      160.         df          0      0
 0      0
   6     970  AOBASIS    264818.      802.         df          0      0
 0      0
   7    1000  BASIS      265620.     3397.         df          0      0
 0      0
   8     129  P2S        269017.      672.         df          0      0
 0      0
   9     960  ABASIS     269689.     8192.         df          0      0
 0      0
  10    1100  S          277881.    10155.         df          0      0
 0      0
  11    1400  T          288036.    10155.         df          0      0
 0      0
  12    1410  V          298191.    10155.         df          0      0
 0      0
  13    1200  H0         308346.    10155.         df          0      0
 0      0
  14    1210  H01        318501.    10155.         df          0      0
 0      0
  15    1080  AOSYM      328656.      150.         df          0      0
 0      0
  16    1600  SMH        328806.    10153.         df          0      0
 0      0
  17    1650  MOLCAS     338959.  8852120.         df          0      0
 0      0
  18    1700  OPER      9191079.    30499.         df          0      0
 0      0

 ? Error
 ? Record not found
 ?

Best,


-- 
*PK*

Good judgment comes from experience;
experience comes from bad judgment.
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