[Wien] excited state of a system

shamik chakrabarti shamikphy at gmail.com
Thu May 6 11:33:56 CEST 2010


Dear wien2k users,

                            I have a basic question regarding DFT. Say for
some system we calculate antiferromagnetic, ferromagnetic and non spin
polarized state and by comparing energy we find that the antiferromagnetic
state is the ground state. Now as ferromagnetic and non spin polarized
states are also two converged solutions of the system can we consider them
as some excited states which can be found at higher temperature (other than
 0K).....??...Any response will be of great help for our understanding.
Thanks in advance.

with regards,

-- 
Shamik Chakrabarti
Research Scholar
Dept. of Physics & Meteorology
Material Processing & Solid State Ionics Lab
IIT Kharagpur
Kharagpur 721302
INDIA
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