301 to 310 of 125,585 Results
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 |