[QE-users] Nose thermostat

[Mahmoud Payami Shabestari]

Dear Experts,

Hi.



>From literature I know how to set the value of "fnosep" for Nose thermostat.

But I have no idea about "fnoseh" and "fnosee".

Maybe "fnoseh" is somehow related to the torsional frequency of the crystal 
(???); and "fnosee" related to the ε0, the lowest eigenvalue of the 
Kohn-Sham orbitals (???).

Any comments is highly appreciated.



Bests,

Mahmoud

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Mahmoud Payami

NSTRI, AEOI, Tehran, Iran



Email: mpayami at aeoi.org.ir
Phone: +98 (0)21 82066504
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