definition of energy density/heat capacity
Hi alps community, does the "Energy Density" output in the classical spinmc correspond to the (Total Energy)/spins and the analogue "Energy Density in the quantum case, e.g. using loop, to (Total Energy)/volume? Since for simple cubic systems both energy densities are equal but for a simple bcc lattice they differ by a factor of 2 so I wonder if they are differently defined? If so, does the same apply consistently to the calculated heat capacities (are they calculated using the fluctuations of the corresponding energy densities)? Best, Fritz --- Max-Planck-Institut für Eisenforschung GmbH Max-Planck-Straße 1 D-40237 Düsseldorf Handelsregister B 2533 Amtsgericht Düsseldorf Geschäftsführung Prof. Dr. Jörg Neugebauer Prof. Dr. Dierk Raabe Prof. Dr. Martin Stratmann Dipl.-Kfm. Herbert Wilk Ust.-Id.-Nr.: DE 11 93 58 514 Steuernummer: 105 5891 1000 -------------------------------------------------
One is per spin and the other is per unit cell - hence the factor of 2. Matthias On Feb 6, 2009, at 6:14 PM, Fritz Koermann wrote:
Hi alps community,
does the "Energy Density" output in the classical spinmc correspond to the (Total Energy)/spins and the analogue "Energy Density in the quantum case, e.g. using loop, to (Total Energy)/volume? Since for simple cubic systems both energy densities are equal but for a simple bcc lattice they differ by a factor of 2 so I wonder if they are differently defined? If so, does the same apply consistently to the calculated heat capacities (are they calculated using the fluctuations of the corresponding energy densities)?
Best, Fritz
--- Max-Planck-Institut für Eisenforschung GmbH Max-Planck-Straße 1 D-40237 Düsseldorf
Handelsregister B 2533 Amtsgericht Düsseldorf
Geschäftsführung Prof. Dr. Jörg Neugebauer Prof. Dr. Dierk Raabe Prof. Dr. Martin Stratmann Dipl.-Kfm. Herbert Wilk
Ust.-Id.-Nr.: DE 11 93 58 514 Steuernummer: 105 5891 1000 -------------------------------------------------
participants (2)
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Fritz Koermann
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Matthias Troyer