[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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