[molpro-user] DF-SCS-LPM2 CP opt

[Jiří Černý]

I am fighting with counterpoise DF-SCS-LMP2 optimization (using HF not
DF-HF reference - as there is no jkfit basis for argon), the calculation
fails with "ERROR IN CCREST_LOC: INCONSISTENT VALUES FOR NVAL:
18       4" message. Maybe the problem is that the complex contains
argon - so there are no gradients on this atom in monomer calculations.


thank you,

Jiri Cerny
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