Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
PCM/TDDFT Help
Arshad Mehmood
acrobat118@hotmail.com
Dear Sir,
I want to run TDDFT (excitation) on Cobalamin (vitamin B12 ) in various solvents i.e. PCM-TDDFT. Which parameters of solvent I have to put in $pcm in input file? Only RSOLV and EPS? or EPSINF also?And can you recommend any gui which can support solvent parameters for input?
Regards,
![[ Previous ]](/ceilidh-icons/ceil_prv.gif)
![[ Next ]](/ceilidh-icons/ceil_nxt.gif)
![[ Index ]](/ceilidh-icons/ceil_ind.gif)
Sat Nov 10 '12 2:48pm
![[ Reply ]](/ceilidh-icons/ceil_rep.gif)
![[ Edit ]](/ceilidh-icons/ceil_edt.gif)
![[ Delete ]](/ceilidh-icons/ceil_del.gif)
This message read 907 times