[Pw_forum] Temperature rescaling in MD calculation

[DONG Rui]

Hi, all,

I am doing MD calculation in QuantumEspresso, and have a question now...

here are some of the input list
* &ions
    ion_temperature = 'reduce-T',
    tempw=10,
    delta_t = 1,
    nraise=10,
    pot_extrapolation='second-order',
    wfc_extrapolation='second-order',
 /
*
But I found the rescaling works only when delta_t is a negative number,
which is different from what the documentation tells me.

Anyone has the same problem? And does anyone know how to heat the system up
use the method "reduce-T"?

Thank you guys!

Rui
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