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Commit 098f596

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update some INPUTs
1 parent d14d6db commit 098f596

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2 files changed

+17
-18
lines changed

2 files changed

+17
-18
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tests/01_PW/083_PW_sol_H2/INPUT

Lines changed: 5 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -13,8 +13,8 @@ ecutwfc 20
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scf_nmax 50
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#Parameters (Solvation Model)
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imp_sol 1
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eb_k 80
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tau 0.000010798
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sigma_k 0.6
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nc_k 0.00037
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imp_sol 1
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eb_k 80
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tau 0.000010798
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sigma_k 0.6
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nc_k 0.00037

tests/01_PW/084_PW_sol_H2O/INPUT

Lines changed: 12 additions & 13 deletions
Original file line numberDiff line numberDiff line change
@@ -1,22 +1,21 @@
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INPUT_PARAMETERS
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#Parameters (General)
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suffix autotest
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pseudo_dir ../../PP_ORB
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nbands 20
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calculation scf
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basis_type pw
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cal_force 1
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#Parameters (Accuracy)
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pw_seed 1
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cal_force 1
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nbands 20
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ecutwfc 20
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scf_nmax 50
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#Parameters (Solvation Model)
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imp_sol 1
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eb_k 80
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tau 0.000010798
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sigma_k 0.6
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nc_k 0.00037
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imp_sol 1
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eb_k 80
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tau 0.000010798
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sigma_k 0.6
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nc_k 0.00037
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pw_seed 1
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#Parameters (General)
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suffix autotest
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pseudo_dir ../../PP_ORB

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