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1 parent 8d64bf0 commit 4ba9d27Copy full SHA for 4ba9d27
src/aiida_sssp_workflow/protocol/convergence.yml
@@ -40,7 +40,7 @@ fine:
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base: # base parameters is inherit by other process
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occupations: smearing
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- degauss: 0.0125
+ degauss: 0.0125
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smearing: fd
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conv_thr_per_atom: 1.0e-9
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kpoints_distance: 0.1 # fine protocol of qe -> gabriel
src/aiida_sssp_workflow/protocol/criteria.yml
@@ -78,7 +78,7 @@ efficiency:
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eos:
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mode: 0
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- bounds: [0.0, 0.2]
+ bounds: [0.0, 0.2]
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eps: 1.0e-3
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phonon_frequencies:
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