Hello everybody,
I am learning PWscf MD in Quantum Espresso. I have question about keyword
'ion_temperature' - There are 8 different options given in INPUT_PW.html. First
three of them as detail given below:
'rescaling' control ionic temperature via velocity rescaling
(first method) see parameters "tempw", "tolp", and
"nraise" (for VC-MD only). This rescaling method
is the only one currently implemented in VC-MD
'rescale-v' control ionic temperature via velocity rescaling
(second method) see parameters "tempw" and "nraise"
'rescale-T' control ionic temperature via velocity rescaling
(third method) see parameter "delta_t"
Here it is mentioned in the parentheses first method, second method and third
method. My question is what are those three different methods? Where I can find
explanation of these methods?
Any help is really appreciated.
Thanks and Regards,
Sahida
Ph.D. Candidate
Fuel Cell Research Lab. (FCReL)
School of Mechatronic Systems Engineering
Simon Fraser University
13450 102 Avenue, Surrey(BC)-V3T 0A3
CANADA
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