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- From: "Ramirez-Cuesta, AJ (Timmy) " <A.J.Ramirez-Cuesta@rl.ac.uk>
- To: "'forum@abinit.org'" <forum@abinit.org>
- Subject: ifc/anaddb question
- Date: Fri, 14 Mar 2003 08:11:02 -0000
Hi there,
I have been using ifc/anaddb to calculate free energies.
The manual says that
"thmflag
The code is able to calculate, using the histogram method :
the normalized phonon DOS
the phonon internal energy, free energy, entropy, constant volume heat
capacity as a function of the temperature
the Debye-Waller factors (tensors) for each atom, as a function of the
temperature"
However I dont know how to print the phonon DoS or the Debye-Waller factors.
Regards
-------------------------------------------
Dr. Anibal Javier Ramirez-Cuesta
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--------------------------------------------
- ifc/anaddb question, Ramirez-Cuesta, AJ (Timmy) , 03/14/2003
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