mem required for fci calc
James A.J Fitzpatrick
J.Fitzpatrick at bristol.ac.uk
Sun Jun 23 21:13:52 BST 2002
Dear Molpro Users,
Can somebody tell me how I can estimate the memory and disk space
resource requirements for an fci calculation (no of elec, or
orbitals and basis size etc...)
Any help would be gratefully recieved.
Many thanks in advance,
James Fitzpatrick.
---
James A.J. Fitzpatrick
Laser Chemistry and Dynamics Group
School of Chemistry, Cantock's Close, Bristol BS8 1TS, UK.
Telephone (Office) : +44 117 928 9938,
Telephone (Lab) : +44 117 928 8187
Fax : +44 117 925 0612
E-mail : j.fitzpatrick at bris.ac.uk
Web : http://www.chm.bris.ac.uk/~chjajf
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