It was my first time to use PSI4.
I want to use SPAT0/jun-cc-pvdz to decompose interaction energy, but the error faced to me in SCF not converged.
Now I am troubled by SCF not converged. So I want to use “guess read” to solove it. But I donnot know how to use it.
For example,
I have calculated the energy in other lower-level. I have had the fchk file.
But I donnot know how to use it.
For example, I just reaname the HF2.fchk to I-hf-jun-psi4-guess.chk ,then I submit the job
I-hf-jun-psi4-guess.inp with “scf guess read”. Is it ok to calculate successfully ?
Thank you for help.