layer
Posted: Wed Jul 31, 2013 7:26 am
hey!
I m trying to make mos2 (100) monolayer.
pls can b anyone help me to find the mistake in these poscar and kpoints..
1.0
13.1600000858 0.0000000000 0.0000000000
-1.5800000429 2.7366403503 0.0000000000
0.0000000000 0.0000000000 12.7200002676
Mo S
2 4
Cartesian
0.000000000 0.000000000 3.081000090
0.000000000 0.000000000 9.540000200
0.000000000 1.824426955 7.677852541
1.580000090 0.912213477 11.130000234
1.580000090 0.912213477 7.950000167
0.000000000 1.824426955 4.770000100
and kpoints
0
monkhorst pack
15 15 1
0 0 0
pls suggest me to make monolayer.i shall be very very thankful to u..........pls suggest and coporate me..........plsssssssssssss..............
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I m trying to make mos2 (100) monolayer.
pls can b anyone help me to find the mistake in these poscar and kpoints..
1.0
13.1600000858 0.0000000000 0.0000000000
-1.5800000429 2.7366403503 0.0000000000
0.0000000000 0.0000000000 12.7200002676
Mo S
2 4
Cartesian
0.000000000 0.000000000 3.081000090
0.000000000 0.000000000 9.540000200
0.000000000 1.824426955 7.677852541
1.580000090 0.912213477 11.130000234
1.580000090 0.912213477 7.950000167
0.000000000 1.824426955 4.770000100
and kpoints
0
monkhorst pack
15 15 1
0 0 0
pls suggest me to make monolayer.i shall be very very thankful to u..........pls suggest and coporate me..........plsssssssssssss..............
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