Published February 13, 2022 | Version v1

Dataset for "Zinc Germanium Nitrides and Oxide Nitrides: The Influence of Oxygen on Electronic and Structural Properties."

  • 1. Helmholtz-Zentrum Berlin für Materialien und Energie
  • 2. Helmholtz-Zentrum Berlin für Materialien und Energie; Freie Universität Berlin

Description

Input files for the Quantum Espresso structure optimisations "*-relax.scf.in" and 12 x 12 x 12 MP-grid SCF "*-large-grid.scf.in" as well as lobster input files "*-lobsterin"

Files

Files (13.1 kB)

Name Size
md5:e9dd226656163552db94df6379166152
2.1 kB Download
md5:bc50a7679fc836c4df95d5266824c302
291 Bytes Download
md5:0b29fbc67bd8c7e22ce6953a96478c78
1.9 kB Download
md5:6392e51b0fdc79935797ec46de5c3c4f
2.1 kB Download
md5:98a446a4bf8da2d36678fc27dc0de481
355 Bytes Download
md5:c49e7e2d057fbe38708485601253ed85
2.0 kB Download
md5:d4aad86464bb2336672bba08613722ec
2.1 kB Download
md5:98a446a4bf8da2d36678fc27dc0de481
355 Bytes Download
md5:bec502720fe7357910bf5eb43fd2c17b
2.0 kB Download