CP2K_INPUT / ATOM / METHOD / XC / XC_FUNCTIONAL / MGGA_X_M11_L

Back to the main page of this manual

Input reference of CP2K version 8.2

Section MGGA_X_M11_L

Minnesota M11-L exchange functional

Section path: CP2K_INPUT / ATOM / METHOD / XC / XC_FUNCTIONAL / MGGA_X_M11_L

This section cannot be repeated.

Subsections
- none

Keywords
- SECTION_PARAMETERS
- SCALE
- _A0
- _A1
- _A10
- _A11
- _A2
- _A3
- _A4
- _A5
- _A6
- _A7
- _A8
- _A9
- _B0
- _B1
- _B10
- _B11
- _B2
- _B3
- _B4
- _B5
- _B6
- _B7
- _B8
- _B9
- _C0
- _C1
- _C10
- _C11
- _C2
- _C3
- _C4
- _C5
- _C6
- _C7
- _C8
- _C9
- _D0
- _D1
- _D10
- _D11
- _D2
- _D3
- _D4
- _D5
- _D6
- _D7
- _D8
- _D9
- _OMEGA

Keyword descriptions

SECTION_PARAMETERS
	`&MGGA_X_M11_L` `{Logical}`
	Activates the functional.
	This keyword cannot be repeated and it expects precisely one logical.
	The lone keyword behaves as a switch to `.TRUE.`
	Default value: `.FALSE.`

SCALE
	`SCALE` `{Real}`
	Scales this functional
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `1.00000000E+000`

_A0
	`_A0` `{Real}`
	a0 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `8.12113100E-001`

_A1
	`_A1` `{Real}`
	a1 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `1.73812400E+001`

_A10
	`_A10` `{Real}`
	a10 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `0.00000000E+000`

_A11
	`_A11` `{Real}`
	a11 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `0.00000000E+000`

_A2
	`_A2` `{Real}`
	a2 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `1.15400700E+000`

_A3
	`_A3` `{Real}`
	a3 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `6.86955600E+001`

_A4
	`_A4` `{Real}`
	a4 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `1.01686400E+002`

_A5
	`_A5` `{Real}`
	a5 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `-5.88746700E+000`

_A6
	`_A6` `{Real}`
	a6 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `4.51740900E+001`

_A7
	`_A7` `{Real}`
	a7 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `-2.77314900E+000`

_A8
	`_A8` `{Real}`
	a8 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `-2.61721100E+001`

_A9
	`_A9` `{Real}`
	a9 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `0.00000000E+000`

_B0
	`_B0` `{Real}`
	b0 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `1.87886900E-001`

_B1
	`_B1` `{Real}`
	b1 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `-1.65387700E+001`

_B10
	`_B10` `{Real}`
	b10 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `0.00000000E+000`

_B11
	`_B11` `{Real}`
	b11 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `0.00000000E+000`

_B2
	`_B2` `{Real}`
	b2 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `6.75575300E-001`

_B3
	`_B3` `{Real}`
	b3 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `-7.56757200E+001`

_B4
	`_B4` `{Real}`
	b4 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `-1.04027200E+002`

_B5
	`_B5` `{Real}`
	b5 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `1.83185300E+001`

_B6
	`_B6` `{Real}`
	b6 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `-5.57335200E+001`

_B7
	`_B7` `{Real}`
	b7 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `-3.52021000E+000`

_B8
	`_B8` `{Real}`
	b8 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `3.72427600E+001`

_B9
	`_B9` `{Real}`
	b9 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `0.00000000E+000`

_C0
	`_C0` `{Real}`
	c0 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `-4.38661500E-001`

_C1
	`_C1` `{Real}`
	c1 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `-1.21401600E+002`

_C10
	`_C10` `{Real}`
	c10 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `0.00000000E+000`

_C11
	`_C11` `{Real}`
	c11 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `0.00000000E+000`

_C2
	`_C2` `{Real}`
	c2 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `-1.39357300E+002`

_C3
	`_C3` `{Real}`
	c3 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `-2.04664900E+000`

_C4
	`_C4` `{Real}`
	c4 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `2.80409800E+001`

_C5
	`_C5` `{Real}`
	c5 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `-1.31225800E+001`

_C6
	`_C6` `{Real}`
	c6 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `-6.36181900E+000`

_C7
	`_C7` `{Real}`
	c7 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `-8.05575800E-001`

_C8
	`_C8` `{Real}`
	c8 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `3.73655100E+000`

_C9
	`_C9` `{Real}`
	c9 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `0.00000000E+000`

_D0
	`_D0` `{Real}`
	d0 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `1.43866200E+000`

_D1
	`_D1` `{Real}`
	d1 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `1.20946500E+002`

_D10
	`_D10` `{Real}`
	d10 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `0.00000000E+000`

_D11
	`_D11` `{Real}`
	d11 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `0.00000000E+000`

_D2
	`_D2` `{Real}`
	d2 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `1.32825200E+002`

_D3
	`_D3` `{Real}`
	d3 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `1.29635500E+001`

_D4
	`_D4` `{Real}`
	d4 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `5.85486600E+000`

_D5
	`_D5` `{Real}`
	d5 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `-3.37816200E+000`

_D6
	`_D6` `{Real}`
	d6 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `-4.42339300E+001`

_D7
	`_D7` `{Real}`
	d7 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `6.84447500E+000`

_D8
	`_D8` `{Real}`
	d8 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `1.94954100E+001`

_D9
	`_D9` `{Real}`
	d9 parameter
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `0.00000000E+000`

_OMEGA
	`_OMEGA` `{Real}`
	range separation
	This keyword cannot be repeated and it expects precisely one real.
	Default value: `2.50000000E-001`

Back to the main page of this manual or the CP2K home page

(Last update: 14.12.2021)