Firefly and PC GAMESS-related discussion club

 
Learn how to ask questions correctly  
 
 

 

Masoud Nahali
masoudnahali@gmail.com

We are going to study the behavior of a nano-cluster having 200 heavy atoms from zero Kelvin to its melting point using Firefly. It seems that we should use $DRC group to do it. But the information in the manual is too concise to understand the physics of the procedure and the commands well. Also I couldn't find any example concerning the issue. Because of the limitation on our computer source we must already have some expectation of the cost of such calculations too.  
If there is someone in the discussion club who has some experience of such calculations we will appreciate them for sharing or doing comment on. Also any collaboration is welcome, you can contact me in private too. Many Thanks, m


----------------------------------------
Sincerely Yours
Masoud Nahali
SUT and SISSA
masoud.nahali@gmail.com
mnahali@sissa.it
alum.sharif.edu/~m_nahali