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 --------------------------------------- Mahmoud Payami NSTRI, AEOI, Tehran, Iran Email: [email protected] Phone: +98 (0)21 82066504 --------------------------------------------------------
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