[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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