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1 parent 60a408a commit 2b0d0b3Copy full SHA for 2b0d0b3
tests/integrate/218_NO_mixing_tau/INPUT
@@ -15,7 +15,7 @@ orbital_dir ../../PP_ORB
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calculation scf # scf relax cell-relax md
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ecutwfc 20
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scf_thr 1e-7
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-printe 1
+
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#Parameters (3.Basis)
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basis_type lcao # lcao or pw
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gamma_only 1 # 0/1, replace KPT
@@ -33,5 +33,5 @@ mixing_type broyden # pulay/broyden
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mixing_ndim 20
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mixing_beta 0.4 # for metal: 0.05-0.4
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mixing_gg0 1.0 # only for metal
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-mixing_tau true
+#mixing_tau true
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tests/integrate/218_NO_mixing_tau/result.ref
@@ -1,3 +1,3 @@
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-etotref -122.1473084278620
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-etotperatomref -122.1473084279
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-totaltimeref 2.60
+etotref -122.1438684360856
+etotperatomref -122.1438684361
+totaltimeref 8.06
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