Commit ce16e337 authored by Lauri Himanen's avatar Lauri Himanen
Browse files

Added new valid smearing type that is present at least in CASTEP and Quantum Espresso.

parent d918460c
......@@ -3552,7 +3552,7 @@
"section_single_configuration_calculation"
]
}, {
"description": "Specifies the kind of smearing on the electron occupation used to calculate the free energy (see energy_free)\n\nValid values are:\n\n| Smearing kind | Description |\n| ------------------------- | --------------------------------- |\n| `\"empty\"` | No smearing is applied |\n| `\"gaussian\"` | Gaussian smearing |\n| `\"fermi\"` | Fermi smearing |\n| `\"marzari-vanderbilt\"` | Marzari-Vanderbilt smearing |\n| `\"methfessel-paxton\"` | Methfessel-Paxton smearing |\n| `\"tetrahedra\"` | Interpolation of state energies and occupations (ignores smearing_width) |",
"description": "Specifies the kind of smearing on the electron occupation used to calculate the free energy (see energy_free)\n\nValid values are:\n\n| Smearing kind | Description |\n| ------------------------- | --------------------------------- |\n| `\"empty\"` | No smearing is applied |\n| `\"gaussian\"` | Gaussian smearing |\n| `\"fermi\"` | Fermi smearing |\n| `\"marzari-vanderbilt\"` | Marzari-Vanderbilt smearing |\n| `\"methfessel-paxton\"` | Methfessel-Paxton smearing |\n| `\"gaussian-splines\"` | Gaussian spline smearing |\n| `\"tetrahedra\"` | Interpolation of state energies and occupations (ignores smearing_width) |",
"dtypeStr": "C",
"name": "smearing_kind",
"shape": [],
......
......@@ -4654,6 +4654,7 @@
"| `\"fermi\"` | Fermi smearing |\n",
"| `\"marzari-vanderbilt\"` | Marzari-Vanderbilt smearing |\n",
"| `\"methfessel-paxton\"` | Methfessel-Paxton smearing |\n",
"| `\"gaussian-splines\"` | Gaussian spline smearing |\n",
"| `\"tetrahedra\"` | Interpolation of state energies and occupations ",
"(ignores smearing_width) |"],
"meta_parent_section":"section_method",
......
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