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ZIP Archive - 226.7 MB - MD5: 2e671d21b8a426314f19f1848a6f8d33
DFT and MD data for the determination of the elastic constants
ZIP Archive - 35.0 MB - MD5: 50d8897c49d5ef3f6f4e3a929b801373
DFT and MD data for the determination of the free energy curves
ZIP Archive - 171.5 MB - MD5: e327a0b817348c9d1b0fca90ff92ff60
DFT and MD data for the determination of the phonon spectra
ZIP Archive - 3.4 GB - MD5: e7251db70f0d8c571663f100e292636d
Complete set of DFT reference data, potfit input files and validation methods
TAR Archive - 40.0 KB - MD5: 6eb5a4b81812561d58d48119b615f70b
Collection of the independent potfit parameters and scripts for fitting the interpolated potentials
ZIP Archive - 982.7 MB - MD5: b815aa20375dfdf7e88b5f2e7d96c8a1
DFT and MD data for the determination of the pressure
TAR Archive - 4.0 MB - MD5: 1023e70a284004ea20f97ec383f75f03
DFT calculations to obtain the energies of single atoms, needed for the calculation of cohesive energies
Gzip Archive - 45.1 MB - MD5: 42e1fb87c6ed06b369e746ae5416c881
New version 3.2
Adobe PDF - 874.7 KB - MD5: 5adc0b34b22fc5b89fa1a31336987d6d
Manual of new version 3.2
Python Source Code - 5.6 KB - MD5: 3a10a49558edb5cacca993bbbaeb8563
Installation script
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