[molpro-user] Convergence Failure in SAPT calculations

[afshan mohajeri]

Hi,

I'm trying to do SAPT calculations but in every try the calculations were
finished with  "NO CONVERGENCE" message.

The CONVERGENCE THRESHOLDS is set to be 1.00E-08 (Density) and   1.00E-09
(Energy).

Indeed, the energy decomposition is not valid in our calculations.
Can any one guide us?


Afshan
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