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Thermodynamics of solids in the quasiharmonic approximation.
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aoterodelaroza/gibbs2
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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.
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