Density functional theory with LDA exchange-correlation, fully relativistic optimized norm-conserving Vanderbilt pseudopotentials, structural relaxation at fixed strained lattice vectors, DFPT phonons, GW quasiparticle corrections, and ab initio Boltzmann transport equation for mobility.Quantum ESPRESSOEPWWannier90BerkeleyGW
Density functional theory with LDA exchange-correlation, fully relativistic optimized norm-conserving Vanderbilt pseudopotentials, structural relaxation at fixed strained lattice vectors, DFPT phonons, GW quasiparticle corrections, and ab initio Boltzmann transport equation for mobility.Quantum ESPRESSOEPWWannier90BerkeleyGW
Density functional theory with LDA exchange-correlation, fully relativistic optimized norm-conserving Vanderbilt pseudopotentials, structural relaxation at fixed strained lattice vectors, DFPT phonons, GW quasiparticle corrections, and ab initio Boltzmann transport equation for mobility.Quantum ESPRESSOEPWWannier90BerkeleyGW
Density functional theory with LDA exchange-correlation, fully relativistic optimized norm-conserving Vanderbilt pseudopotentials, structural relaxation at fixed strained lattice vectors, DFPT phonons, GW quasiparticle corrections, and ab initio Boltzmann transport equation for mobility.Quantum ESPRESSOEPWWannier90BerkeleyGW