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On 18.03.14 14:17, roya moghaddasi
wrote:
Hello every body,
I am a bit confused about reduced units. What does
kT=1epsilon means? does it mean that my energy unit is
1.3806488e-23 J/k
*300k=4.142*e-21 J?
Yes, exactly that.
If the Espresso gives my
total_energy=5.67e+27, does it mean that my system has almost
1 MJ energy? but it is too much energy and it is not
reasonable.
Yes, that means that your system setup is unphysical. Probably
particles are overlapping too much or so, maybe you don't warm up
enough.
Axel
--
JP Dr. Axel Arnold
ICP, Universität Stuttgart
Allmandring 3
70569 Stuttgart, Germany
Email: address@hidden
Tel: +49 711 685 67609
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