Chemical Forums
1 Hour
1 Day
1 Week
1 Month
Forever
December 25, 2024, 09:05:17 AM
Forum Rules
: Read This Before Posting
Home
Help
Search
Login
Register
Chemical Forums
Chemistry Forums for Students
Physical Chemistry Forum
Gaussian 09 Crystal
« previous
next »
Print
Pages: [
1
]
Go Down
Topic: Gaussian 09 Crystal (Read 3058 times)
0 Members and 1 Guest are viewing this topic.
sebomz2
Very New Member
Posts: 1
Mole Snacks: +0/-0
Gaussian 09 Crystal
«
on:
August 06, 2011, 08:14:20 PM »
Hi, I'm working with Gaussian 09 set, but i have i question about optimization process. It is possible if I optimized the molecules in crystal and then run a single point energy calculation in G09 with the CRYSTAL optimized coordinates?
Thanks
Logged
argulor
Regular Member
Posts: 27
Mole Snacks: +2/-1
Re: Gaussian 09 Crystal
«
Reply #1 on:
August 07, 2011, 02:41:09 PM »
Yes, you can either add a guess=READ command where it will read the optimized coordinates from the .log file in the same directory. OR you can just simply put the optimized coordinated into the new input file. I have a few templates if you'd like to see them.
Logged
Print
Pages: [
1
]
Go Up
« previous
next »
Sponsored Links
Chemical Forums
Chemistry Forums for Students
Physical Chemistry Forum
Gaussian 09 Crystal