Detail

Accuracy and transferability of Gaussian approximation potential models for tungsten

Csányi, Gábor; Szlachta, Wojciech J.; Bartók, Albert P.

Year

2014

Source Name

w_14

Contacts

Csányi, Gábor
158k diverse atomic environments of elemental tungsten. DFT/PBE energies, forces and stresses for tungsten, periodic unit cells in the range of 1-135 atoms, including bcc primitive cell, 128-atom bcc cell, vacancies, low index surfaces, gamma-surfaces, and dislocation cores.