[molpro-user] SAPT_DFT

brijesh kumar brijesh78 at gmail.com
Wed Dec 12 10:00:54 GMT 2012


Dear Colleagues,
I am trying to run SAPT-DFT for a 37 atoms system.  I am using avtz basis
set.
Unfortunately, I can use disk space up to 900 GB.   My output file shows
error that disk space is full.  I found a coupe of options to reduce disk
space:
*SAPT_DISK*
*SAPT_DISP_N4*

Could you please let me know how to use these options in input file,
particularly the second option?
Thank you very much.

best regards

-- 
Brijesh Kumar Mishra
Umea Sweden
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