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Manuscript Title: Gibbs2: A new version of the quasi-harmonic model code. II. Models for solid-state thermodynamics, features and implementation.
Authors: A. Otero-de-la-Roza, David Abbasi-Pérez, Víctor Luaña
Program title: Gibbs2
Catalogue identifier: AEJI_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 182(2011)2232
Programming language: Fortran90.
Computer: Any running Unix/Linux.
Operating system: Unix, GNU/Linux.
Keywords: Equations of State in Solids, Equilibrium Properties of Solids, Data Analysis, Treatment of Noisy Data, Discontinuous Data, Thermal Effects.
PACS: 07.05.Bx, 71.15.-m, 64.10.+h 65.40.-b 64.30.Jk.
Classification: 7.8.

External routines: Part of the minpack, pppack and slatec libraries (downloaded from netlib.org) are distributed along with the program.

Nature of problem:
Given the static E(V ) curve, and possibly vibrational information such as the phonon density of states, calculate the equilibrium volume and thermodynamic properties of a solid at arbitrary temperatures and pressures in the framework of the quasiharmonic approximation.

Additional comments:
A detailed analysis concerning the fitting of equations of state has been carried out in the first part of this article, and implemented in the code presented here.

Running time:
The tests provided only take a few seconds to run.