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5f7c1c77
Commit
5f7c1c77
authored
Jan 26, 2018
by
Francois Gygi
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Adjust strain values in test/stress files
parent
0d593a29
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4 additions
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5 deletions
+4
-5
gs.i
test/stress/gs.i
+1
-2
gs_offdiag.i
test/stress/gs_offdiag.i
+3
-3
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test/stress/gs.i
View file @
5f7c1c77
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@@ -6,8 +6,7 @@ atom Si1 silicon 3.700 -0.100 0.300
atom Si2 silicon -0.100 2.800 -0.200
atom Si3 silicon -3.700 0.100 0.300
atom Si4 silicon -0.100 -2.800 -0.200
#strain 0.02 0.04 0.06 0.03 0.05 0.07
strain 0.0 0.0 0.0 0.00 0.0 0.0
strain 0.02 0.04 0.06 0.03 0.05 0.07
params.i
set wf_dyn PSDA
set stress ON
...
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test/stress/gs_offdiag.i
View file @
5f7c1c77
...
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@@ -5,8 +5,8 @@ set stress ON
set debug STRESS
run 0
set wf_dyn LOCKED
strain 0 0 0 0.0005 0.000
0.000
strain 0 0 0 0.0005 0.000
2 -0.0003
run 0
strain -inverse 0 0 0 0.0005 0.000
0.000
strain -inverse 0 0 0 0.0005 0.000
0.000
strain -inverse 0 0 0 0.0005 0.000
2 -0.0003
strain -inverse 0 0 0 0.0005 0.000
2 -0.0003
run 0
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