chrinide / gibbs2

Thermodynamics of solids in the quasiharmonic approximation.

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Gibbs2 is a fortran90 program for the calculation of pressure and
temperature dependent thermodynamic properties of solids from ab
initio results. 

The instructions for installation and usage of gibbs2 are contained in
the documentation, doc/gibbs2.txt and doc/gibbs2.pdf .

Note: the Intel fortran comiler (ifort) version 15.0.2 seems to have
problems running gibbs2. Even though it compiles just fine, it gives a
segmentation fault for unknown reasons for some of the test
cases. Other versions of ifort work just fine.

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Thermodynamics of solids in the quasiharmonic approximation.

License:GNU General Public License v3.0


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