{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "68ca38e9",
   "metadata": {},
   "outputs": [],
   "source": [
    "# This Tutorial tell how to make DFT calculations "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "bc5ca57c",
   "metadata": {},
   "outputs": [],
   "source": [
    "#taking structure from materials project, provide PMG key to configuration file simanrc.py, setup sets and clusters\n",
    "from siman.calc_manage import add\n",
    "\n",
    "add(setlist = '1', mp_id = 149)\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "427abde8",
   "metadata": {},
   "outputs": [],
   "source": [
    "#Changing number of cores\n",
    "add(corenum = 16)\n",
    "\n",
    "#Changing cluster\n",
    "add(cluster = 'skol')"
   ]
  }
 ],
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