Data for: The investigation of hydrogen sublattice in Mg2NiHx (x=0.3) hydride by first-principle calculations

The supplementary data for the article: I.V. Oshchapovsky, I.Yu. Zavaliy and V.V. Pavlyuk The investigation of hydrogen sublattice in Mg2NiHx (x=0.3) hydride by first-principle calculations Materials Today Communications - 2020 The detailed description in file Supplementary.pdf, the output of program JDFTx, containing commands to reproduce calculations in file Supplementary.7z