[molpro-user] Reg: Error Insufficient overlap
Ganga Periyasamy
Ganga.Periyasamy at ulg.ac.be
Wed Aug 26 20:54:22 BST 2009
Dear Molpro users,
I am trying to run diabatization calculation. I got the following error. I
tried to decrease the THRVOL=1*d-8 but still i got the error message.
thank you
Ganga
Coefficients of singly external configurations greater than 0.0500000
=====================================================================
2202020\000 2.7 -0.0494498 -0.0138987 -0.1577692 -0.3773307
2202020\000 3.7 0.0127445 0.0099832 0.0646710 0.0239802
22020\02000 5.1 -0.0007272 0.0049705 0.0380133 0.0633538
2\020/0200\ 2.7 -0.0092366 0.0102576 0.0164434 0.0566751
? Error
? Insufficient overlap
? The problem occurs in cihdia
:
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