TURBOMOLE Users Forum
Welcome,
Guest
. Please
login
or
register
.
1 Hour
1 Day
1 Week
1 Month
Forever
Login with username, password and session length
Home
Help
Search
Login
Register
TURBOMOLE Users Forum
»
TURBOMOLE Modules
»
Ricc2
»
how to perform excitation energy calculation using RICC2
« previous
next »
Print
Pages: [
1
]
Author
Topic: how to perform excitation energy calculation using RICC2 (Read 5698 times)
wuhen
Jr. Member
Posts: 15
Karma: +0/-0
how to perform excitation energy calculation using RICC2
«
on:
September 05, 2010, 02:41:22 PM »
hi
I have done geometric optimation for a molecular system, now, how i can get the excitation energy? Is somewhat should be added to control file?
regards
Logged
christof.haettig
Global Moderator
Sr. Member
Posts: 291
Karma: +0/-0
Re: how to perform excitation energy calculation using RICC2
«
Reply #1 on:
November 18, 2010, 05:46:30 PM »
Well, usually it a good idea to read first the manual before one starts a caluculation....
The TURBOMOLE manual will help you.
Christof
Logged
Print
Pages: [
1
]
« previous
next »
TURBOMOLE Users Forum
»
TURBOMOLE Modules
»
Ricc2
»
how to perform excitation energy calculation using RICC2