[Pw_forum] some fpmd options
Massimiliano Bonomi
massimiliano.bonomi at mi.infn.it
Mon Jun 6 12:09:26 CEST 2005
Dear users,
are these options for fpmd
- electron temperature control= rescaling
- ion temperature control = rescaling
- ion velocities = random
really implemented in espresso 2.1.3??
I had some problems using them...
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from control_flags : error # 1
unknown electron_temperature rescaling
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from control_flags : error # 1
unknown ion_temperature rescaling
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from control_flags : error # 1
unknown ion_velocities random
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Best regards and thanks in advance.
Massimiliano Bonomi.
--
Massimiliano Bonomi
Dipartimento di Fisica, Università degli Studi di Milano
via Celoria, 16 - 20133 Milano, Italy
ph. +39 02 50317 717
e-mail: massimiliano.bonomi at mi.infn.it, massimiliano.bonomi at unimi.it
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