Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
Calculate of TDDFT
Hi guys, I have a problem to calculate the TDDFt of benzoic acid. I ran the same processess to benzene and piridine but fot the benzoic acid the calculate don't converged.
Please, take a look in my input and output.
| ||This message contains the 2 kb attachment|
[ benzoic-acid-tddft.inp ]
Fri Dec 6 '13 0:14am
This message read 720 times