Ba2_Zn5_As6.tar: Ba2_Zn5_As6.cif - CIF file containing the crystal structure scf.pwi, scf.pwo - Quantum ESPRESSO self-consistent input and output dos.pwi, dos.pwo - Quantum ESPRESSO density of states input and output Ba2_Zn5_As6.dos - Density of states data written by Quantum ESPRESSO bands.pwi, bands.pwo - Quantum ESPRESSO band calculation input and output ppbands.pwi, ppbands.pwo - Quantum ESPRESSO band post processing input and output lobsterin.in, lobsterout.out - LOBSTER calculations of COOP and COHP. lobsterin.in must be renamed to lobsterin (with no extension) before use. COHPCAR.lobster - Crystal Orbital Hamilton Population data written by LOBSTER COOPCAR.lobster - Crystal Orbital Overlap Population data written by LOBSTER Ba2_Zn5_Sb6.tar: Ba2_Zn5_Sb6.cif - CIF file containing the crystal structure scf.pwi, scf.pwo - Quantum ESPRESSO self-consistent input and output dos.pwi, dos.pwo - Quantum ESPRESSO density of states input and output Ba2_Zn5_Sb6.dos - Density of states data written by Quantum ESPRESSO bands.pwi, bands.pwo - Quantum ESPRESSO band calculation input and output ppbands.pwi, ppbands.pwo - Quantum ESPRESSO band post processing input and output lobsterin.in, lobsterout.out - LOBSTER calculations of COOP and COHP. lobsterin.in must be renamed to lobsterin (with no extension) before use. COHPCAR.lobster - Crystal Orbital Hamilton Population data written by LOBSTER COOPCAR.lobster - Crystal Orbital Overlap Population data written by LOBSTER