Questions tagged [sapt]

The tag has no usage guidance.

Filter by
Sorted by
Tagged with
3 votes
1 answer

PSI4 SAPT calculation: failure to write

I am attempting to run SAPT0 calculations on dimer complexes with around 100 atoms each. However, PSI4 SAPT0 calculations freeze and get terminated with the following error messages - I assigned 48GB ...
bhopshang's user avatar
  • 233