aiidateam / aiida-quantumespresso

The official AiiDA plugin for Quantum ESPRESSO
https://aiida-quantumespresso.readthedocs.io
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Monkhorst-Pack grid for 1D/2D structures in ph.x #954

Closed AndresOrtegaGuerrero closed 11 months ago

AndresOrtegaGuerrero commented 1 year ago

Due to #907 , PhBaseWorkChain should include a logic to determine the grid based on the periodicity of the structure. Ideally such grid should be obtained with create_kpoints_from_distance like in PwBaseWorkChain since it takes into account the periodicity.