vibrational density of states
Posted: Fri Jan 06, 2012 12:35 pm
Dear All,
I am a beginner to this topic and please be patience
if it is so naive for you.
I have simulated a system using molecular dynamics,
upto 5 pico seconds using Nose thermostat.
I wanted to understand how to carry out vibrational density of states for this system using VASP.
I couldn't find more information on the VASP.
Could any one point me to the tutorial or to the scripts
to calculte the above.
I am using VASP 5.2.
MK
I am a beginner to this topic and please be patience
if it is so naive for you.
I have simulated a system using molecular dynamics,
upto 5 pico seconds using Nose thermostat.
I wanted to understand how to carry out vibrational density of states for this system using VASP.
I couldn't find more information on the VASP.
Could any one point me to the tutorial or to the scripts
to calculte the above.
I am using VASP 5.2.
MK