[Pw_forum] How to change velocities of specified ions ?
lanhaiping at gmail.com
Sat Mar 7 11:31:53 CET 2009
I am intending to examine a structure evolution by certain elastic
scattering, such as ion bombs, high spread electrons.
Therefore, I need to add some kinetic energies for some ions after some
times . I checked the INPUT_CP and found it may meet my intent, and i
would like to make clear for some points I donot understand well. Could you
please give me some hints or suggestions on this issue ?
1, I think I can simulate the scattering process through changing ions'
velocities. The card for velocities : ion_velocities has several options
such as "default", "change step", "random", "from_input" and "zero".
If I just want to change some ions' states and keep others, which option
should I choose ? My first guess is "from_input".
It seems that i can get the finnal values of ions
for previous simulation , then change these values and specify in the
ATOMIC_VELOCITIES. Is it OK for me to simulate this scattering process ? Do
I lose some points ?
2, About electron_velocities. For elastic scattering on ions, should i
consider the change of electron_velocities ? I am not very clear about
this tag, would you please explain which physical process this tag account
Department of Electronics ,
Peking University , Bejing, 100871
lanhaiping at gmail.com, hplan at pku.edu.cn
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