aiida_quantumespresso.calculations.projwfc
#
CalcJob implementation for the projwfc.x code of Quantum ESPRESSO.
Module Contents#
Classes#
CalcJob implementation for the projwfc.x code of Quantum ESPRESSO. |
- class aiida_quantumespresso.calculations.projwfc.ProjwfcCalculation(*args, **kwargs)[source]#
Bases:
aiida_quantumespresso.calculations.namelists.NamelistsCalculation
CalcJob implementation for the projwfc.x code of Quantum ESPRESSO.
Projwfc.x code of the Quantum ESPRESSO distribution, handles the the computation of projections of bloch wavefunctions onto atomic orbitals.
<Psi(n,k) | Y(theta,phi)R(r) >. For more information, refer to http://www.quantum-espresso.org/