MP2 disk requirements
Could someone give me an estimate, or suggest how to do the estimate myself,
for the amount of scratch space required for an MP2/6-31g* geometry optimisation
on styrene ? (C8H8,28 occupied mo's, 138 ao's) I am using G90 on RS6000.
Any suggestions about the optimum way to go about such a calculation of this
size would be welcomed. I would guess this will take 3-5 days of cpu time.
Many thanks in advance, and I will pass the comments back.
John McKelvey
Res. Labs
Eastman Kodak Co. Rochester, NY 14650-2216
MCKELVEY : at : KODAK.COM
716-477-3335