jarvis.tasks.qe.converg ======================= .. py:module:: jarvis.tasks.qe.converg .. autoapi-nested-parse:: Module to converge K-points and Cutoff. Attributes ---------- .. autoapisummary:: jarvis.tasks.qe.converg.sleep jarvis.tasks.qe.converg.atoms Functions --------- .. autoapisummary:: jarvis.tasks.qe.converg.converg_kpoints jarvis.tasks.qe.converg.converg_cutoff Module Contents --------------- .. py:data:: sleep :value: 5 .. py:function:: converg_kpoints(atoms=None, length=0, encut=40, ecutrho=250, tol=0.001, increment=5, qe_cmd='/cluster/deb9/bin/mpirun -n 16 /cluster/bin/pw.x', psp_dir=None, url=None, psp_temp_name=None) Converge k-points for a material. .. py:function:: converg_cutoff(atoms=None, length=10, encut=40, ecutrho=250, tol=0.001, increment=5, psp_dir=None, url=None, psp_temp_name=None, qe_cmd='/cluster/deb9/bin/mpirun -n 16 /cluster/bin/pw.x') Converge cutoff for a material. .. py:data:: atoms