"Download the Si_phononwebsite.json file on your local machine and upload it on the following website to display the atomic displacents associated to the phonon modes: http://henriquemiranda.github.io/phononwebsite/phonon.html"
Download the Si_phononwebsite.json file on your local machine and upload it on the following website to display the atomic displacents associated to the phonon modes: http://henriquemiranda.github.io/phononwebsite/phonon.html
"This example shows how to build a very simple Flow for the structural relaxation of SiC. One could use a similar logic to perform multiple relaxations with different input parameters…\n",
This example shows how to build a very simple Flow for the structural relaxation of SiC. One could use a similar logic to perform multiple relaxations with different input parameters…
"If not already running, start MongoDB (if your MongoDB is hosted and maintained externally, follow the note below regarding lpad init):\n"
]
},
{
"cell_type": "code",
"execution_count": null,
"id": "electronic-essex",
"metadata": {},
"outputs": [],
"source": [
"# !lpad init "
]
},
{
"cell_type": "code",
"execution_count": null,
"id": "increasing-context",
"metadata": {},
"outputs": [],
"source": [
"!cat ~/.fireworks/my_launchpad.yaml"
]
},
{
"cell_type": "markdown",
"id": "white-owner",
"metadata": {},
"source": [
"Reset/Initialize the FireWorks database (the LaunchPad):"
]
},
{
"cell_type": "code",
"execution_count": null,
"id": "entertaining-scotland",
"metadata": {
"scrolled": true
},
"outputs": [],
"source": [
"! echo 'y' | lpad reset"
]
},
{
"cell_type": "markdown",
"id": "numerous-regard",
"metadata": {},
"source": [
"## Add a Workflow\n",
"\n",
"There are many ways to add Workflows to the database, including a Python API. Let’s start with an extremely simple example that can be added via the command line:"
