<div dir="ltr"><div>Dear colleagues,</div><div><br></div><div>I would highly appreciate if  someone help me to <span style="color:rgb(0,0,0);white-space:pre-wrap">figur out why this error is occurring. Here I am trying to do delta HF calculation. </span></div><div><span style="color:rgb(0,0,0);white-space:pre-wrap"><br></span></div><div><font color="#000000"><span style="white-space:pre-wrap">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
</span></font><span style="color:rgb(0,0,0);white-space:pre-wrap">
</span></div><div>Transform atomic integrals</div><div> ==========================</div><div> OOVV+OVOV integrals for monomer A</div><div><br></div><div> FILE 1 RECORD   1300 OFFSET=      1. NOT FOUND</div><div><br></div><div> Records on file 1</div><div><br></div><div> IREC  NAME  TYPE     OFFSET   LENGTH  IMPLEMENTATION  EXT  PREV  PARENT  MPP_STATE</div><div>  1   500  VAR      8192.  217602.     df      0    0    0    0</div><div>  2   610  BASINP   225794.   8192.     df      0    0    0    0</div><div>  3   700  GEOM    233986.   30044.     df      0    0    0    0</div><div>  4   900  SYMINP   264030.    628.     df      0    0    0    0</div><div>  5   950  ZMAT    264658.    160.     df      0    0    0    0</div><div>  6   970  AOBASIS   264818.    802.     df      0    0    0    0</div><div>  7   1000  BASIS    265620.   3397.     df      0    0    0    0</div><div>  8   129  P2S     269017.    672.     df      0    0    0    0</div><div>  9   960  ABASIS   269689.   8192.     df      0    0    0    0</div><div> 10   1100  S      277881.   10155.     df      0    0    0    0</div><div> 11   1400  T      288036.   10155.     df      0    0    0    0</div><div> 12   1410  V      298191.   10155.     df      0    0    0    0</div><div> 13   1200  H0     308346.   10155.     df      0    0    0    0</div><div> 14   1210  H01     318501.   10155.     df      0    0    0    0</div><div> 15   1080  AOSYM    328656.    150.     df      0    0    0    0</div><div> 16   1600  SMH     328806.   10153.     df      0    0    0    0</div><div> 17   1650  MOLCAS   338959.  8852120.     df      0    0    0    0</div><div> 18   1700  OPER    9191079.   30499.     df      0    0    0    0</div><div><br></div><div> ? Error</div><div> ? Record not found</div><div> ? </div><div><br></div><div>Best,</div><div><br></div><div><br></div>-- <br><div class="gmail_signature"><div dir="ltr"><div><font color="#000000" face="verdana, sans-serif"><span style="font-size:13.2px;line-height:16.8px"><u>PK</u></span></font></div><div><font color="#000000" face="verdana, sans-serif"><span style="font-size:13.2px;line-height:16.8px"><u><br></u></span></font></div><div><span style="color:rgb(0,0,0);font-size:13.2px;line-height:16.8px;font-family:verdana,sans-serif">Good judgment comes from experience; </span><br></div><font face="verdana, sans-serif"><span style="color:rgb(0,0,0);font-size:13.2px;line-height:16.8px">experience comes from bad judgment.</span></font><br></div></div>
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