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Merge pull request #33 from kfgarrity/master
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knc6 authored Jul 25, 2023
2 parents e97a8e9 + 9bb07a2 commit b7aae76
Showing 1 changed file with 7 additions and 6 deletions.
13 changes: 7 additions & 6 deletions jarvis-tools-notebooks/ThreeBodyTB_julia.ipynb
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"using Pkg\n",
"Pkg.add(url = \"https://github.com/usnistgov/ThreeBodyTB.jl\", rev = \"develop3\")\n",
"using ThreeBodyTB\n",
"Pkg.add(\"Plots\")\n",
"using Plots"
],
"metadata": {
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{
"cell_type": "markdown",
"source": [
"**Define an AlAs primitive unit cell (zincblende structure).**"
"**Define an AlP primitive unit cell (zincblende structure).**"
],
"metadata": {
"id": "CkBWVGsymuU5"
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"c222 = c * [2,2,2]\n",
"plot(c222)"
],
"execution_count": 44,
"execution_count": null,
"outputs": [
{
"output_type": "stream",
Expand All @@ -314,7 +315,7 @@
{
"cell_type": "markdown",
"source": [
"**Calculate energy of AlAs**"
"**Calculate energy of AlP**"
],
"metadata": {
"id": "NJpcC-mam7wW"
Expand All @@ -332,7 +333,7 @@
"id": "HaB30AFVltGM",
"outputId": "7209e4df-6733-4b06-bba3-531279b94fff"
},
"execution_count": 45,
"execution_count": null,
"outputs": [
{
"output_type": "stream",
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"id": "7MzdWNMbl4uD",
"outputId": "bf236d20-9049-4345-cb2d-5e80cfda0354"
},
"execution_count": 46,
"execution_count": null,
"outputs": [
{
"output_type": "stream",
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"id": "nNpUysZemYiB",
"outputId": "8509bd74-a10a-4e8f-e94d-041db79bfdd3"
},
"execution_count": 43,
"execution_count": null,
"outputs": [
{
"output_type": "stream",
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