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Revised bcc Fe example
1 parent ae07548 commit 93e1375

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2 files changed

+10
-12
lines changed

2 files changed

+10
-12
lines changed

content/magnon/bccFeT1K/inpsd.dat

Lines changed: 5 additions & 6 deletions
Original file line numberDiff line numberDiff line change
@@ -1,5 +1,5 @@
1-
simid bccFe100
2-
ncell 20 20 20 System size
1+
simid bccFe100
2+
ncell 20 20 20 System size
33
BC P P P Boundary conditions (0=vacuum, P=periodic)
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cell -0.5000000000 0.5000000000 0.5000000000
55
0.5000000000 -0.5000000000 0.5000000000
@@ -17,11 +17,11 @@ SDEalgh 1 SDE solver: 1=midpoint, 2=heun,
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Initmag 3 Initial config of moments (1=random, 2=cone, 3=spec., 4=file)
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ip_mode H Initial phase parameters
20-
ip_mcanneal 1 --
21-
10000 1.0 1.00e-16 0.3 --
20+
ip_mcanneal 1 --
21+
10000 1.0 1.00e-16 0.3 --
2222

2323
mode S S=SD, M=MC
24-
temp 1.0 Measurement phase parameters
24+
temp 1.0 Measurement phase parameters
2525
Nstep 40000
2626
damping 1.0e-4
2727
timestep 1.0e-16
@@ -45,4 +45,3 @@ do_stiffness Y
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eta_max 18
4646
eta_min 12
4747
alat 2.83e-10
48-

content/magnon/bccFeT300K/inpsd.dat

Lines changed: 5 additions & 6 deletions
Original file line numberDiff line numberDiff line change
@@ -1,5 +1,5 @@
1-
simid bccFe100
2-
ncell 20 20 20 System size
1+
simid bccFe100
2+
ncell 20 20 20 System size
33
BC P P P Boundary conditions (0=vacuum, P=periodic)
44
cell -0.5000000000 0.5000000000 0.5000000000
55
0.5000000000 -0.5000000000 0.5000000000
@@ -17,11 +17,11 @@ SDEalgh 1 SDE solver: 1=midpoint, 2=heun,
1717
Initmag 3 Initial config of moments (1=random, 2=cone, 3=spec., 4=file)
1818

1919
ip_mode H Initial phase parameters
20-
ip_mcanneal 1 --
21-
10000 300.0 1.00e-16 0.3 --
20+
ip_mcanneal 1 --
21+
10000 300.0 1.00e-16 0.3 --
2222

2323
mode S S=SD, M=MC
24-
temp 300.0 Measurement phase parameters
24+
temp 300.0 Measurement phase parameters
2525
Nstep 40000
2626
damping 1.0e-4
2727
timestep 1.0e-16
@@ -45,4 +45,3 @@ do_stiffness Y
4545
eta_max 18
4646
eta_min 12
4747
alat 2.83e-10
48-

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