[molpro-user] Threshold on 2-electron integrals
Martin Spenke
martinspenke at yahoo.de
Sat Oct 17 19:31:07 BST 2015
Dear all,
How can i change the convergence threshold for 2-electron integrals ?"Contracted 2-electron integrals neglected if value below 1.0D-11"
I checked the keywords presented here : https://www.molpro.net/info/2012.1/doc/quickstart/node68.html and in particular gthresh,twoint=1.d-11 Unfortunately it had no effect on the threshold.
Best wishesMartin
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