tolerance in CPHF module

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Bert Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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9:23:50 AM PDT - Fri, Sep 16th 2011
You can set the tolerance by "set cphf:thresh 1.0d-3". The convergence is by default 0.1*tolerance, but can be set by "set cphf:acc 1.0d-4". Bert Quote: Sep 16th 12:54 pm Greetings, I was wondering if there was a way to change the tolerance and convergence criteria in the CPHF module. Specifically, I want to drop "tolerance = 0.10D-03" and "Convergence 1.0D-04" by a few orders of magnitude. Thank you.

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