Andrii Kulinich
andrii.kulinich@gmail.com
1) can I use in a TDDFT input-file the orbitals generated in the PUNCH-file of previous calculation (with a command GUESS=MOREAD)?
2) how large should be a parameter NSTATE when a molecule consisting of 40-60 atoms are calculated?
3) to calculate triplet states the only parameter MULT should be changed or other additional options are necessary?
thank you in advance,
Andrii