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enlarge threshold to prevent CI test failure (#5096)
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Original file line number | Diff line number | Diff line change |
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@@ -0,0 +1,4 @@ | ||
threshold 0.00001 | ||
force_threshold 0.00001 | ||
stress_threshold 0.00001 | ||
fatal_threshold 0.00001 |
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@@ -7,7 +7,7 @@ gamma_only 0 | |
nspin 1 | ||
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#Parameters (2.Iteration) | ||
ecutwfc 20 | ||
ecutwfc 50 | ||
scf_thr 1E-5 | ||
scf_nmax 100 | ||
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@@ -1,3 +1,4 @@ | ||
etotref -196.7590796477498429 | ||
etotperatomref -98.3795398239 | ||
totaltimeref 25.24 | ||
etotref -196.7312320266655092 | ||
etotperatomref -98.3656160133 | ||
totaltimeref 56.4969 | ||
37.12 |