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[marco mancini <man74cio@gmail.com>]

Hi Manuel, 
to perform plasma simulations I used ionmov=12 which conserve kinetic energy.
bye
Marco



Marco Mancini
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CEA-DAM Ile de France
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Tel:  +33(0)6.62.03.47.93   
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Email:  man74cio@gmail.com
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2009/7/17 <mcotelo@gmail.com>

Hi abiniters:

I'm trying to use ABINIT to perfom some simulations for dense plasmas. I take
the idea from these articles:

Very-high-temperature molecular dynamics
F. Lambert, J. Clerouin, G. Zerah
Physical Review E 73, 1 (2006)

First Principles Molecular Dynamics of Dense Plasmas
M.P. Surh and TW Barbee and LH Yang
Physical Review Letters 86, 5958--5961 (2001)

Ab Initio Determination of Thermal Conductivity of Dense Hydrogen Plasmas
V. Recoules and F. Lambert and A. Decoster and B. Canaud and J. Cl{\'e}rouin
Physical Review Letters (2009)

I'm using options ionmov=6 and ionmov=8 to run MD simulations with time steps
of about 2.5 fs but the results are not good. After a few time steps, the
kinetic energy suddenly rises orders of magnitude and the energy is not
conserved..

Can anybody give me some advice? Do I have to use some special options or take
care about some parameters?

I found few information about MD simulations for plasmas. Could you tell me
where I can found more information? Could you recommend me some papers?

********************************************************************
Manuel Cotelo Ferreiro

Universidad Politécnica de Madrid
ETSII - Instituto de Fusión Nuclear
calle José Gutiérrez Abascal 2
28006 MADRID
ESPAÑA

tlf : +34 91 336 31 08
fax : +34 91 336 30 02
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