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Using cold smearing for convergence test #244

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Merged
unkcpz merged 1 commit into from
Nov 26, 2024
Merged

Using cold smearing for convergence test #244

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2 changes: 1 addition & 1 deletion src/aiida_sssp_workflow/protocol/convergence.yml
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Expand Up @@ -6,7 +6,7 @@ balanced:
base: # base parameters is inherit by other process
occupations: smearing
degauss: 0.02 # balanced protocol of qe -> gabriel
smearing: fd
smearing: cold
conv_thr_per_atom: 1.0e-8
kpoints_distance: 0.2 # balanced protocol of qe -> gabriel
mixing_beta: 0.4
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