EINT - Revision history

Wolloch: /* Related tags and articles */

2024-12-18T11:29:15Z

Related tags and articles

← Older revision		Revision as of 11:29, 18 December 2024
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	{{TAG\|LSEPB}},		{{TAG\|LSEPB}},
	{{TAG\|LSEPK}},		{{TAG\|LSEPK}},
	~~<!--~~{{TAG\|LPARDH5}},~~-->~~		{{TAG\|LPARDH5}},
	{{FILE\|PARCHG}},		{{FILE\|PARCHG}},
	{{FILE\|vaspout.h5}},		{{FILE\|vaspout.h5}},

Wolloch at 11:40, 14 June 2024

2024-06-14T11:40:32Z

← Older revision		Revision as of 11:40, 14 June 2024
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	If {{TAG\|EINT}} is set, but {{TAG\|NBMOD}} is not, it will be internally set to {{TAG\|NBMOD}} = -2, and the input values of {{TAG\|EINT}} will be treated as absolute energies.		If {{TAG\|EINT}} is set, but {{TAG\|NBMOD}} is not, it will be internally set to {{TAG\|NBMOD}} = -2, and the input values of {{TAG\|EINT}} will be treated as absolute energies.

	{{TAG\|EINT}} can be conveniently used in combination with {{TAG\|NBMOD}} = -3 to mimic the bias-voltage for [[STM_of_graphene\|simulating a scanning tunneling microscope image]].		{{TAG\|EINT}} can be conveniently used in combination with {{TAG\|NBMOD}} = -3 to mimic the bias-voltage for [[STM_of_graphene\|simulating a scanning-tunneling-microscope image]].
	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|LPARD}},		{{TAG\|LPARD}},
Line 21:		Line 21:
	{{TAG\|LSEPB}},		{{TAG\|LSEPB}},
	{{TAG\|LSEPK}},		{{TAG\|LSEPK}},
	{{TAG\|LPARDH5}}		<!--{{TAG\|LPARDH5}},-->
	{{FILE\|PARCHG}},		{{FILE\|PARCHG}},
	{{FILE\|vaspout.h5}},		{{FILE\|vaspout.h5}},

Wolloch at 09:52, 13 June 2024

2024-06-13T09:52:15Z

← Older revision		Revision as of 09:52, 13 June 2024
Line 21:		Line 21:
	{{TAG\|LSEPB}},		{{TAG\|LSEPB}},
	{{TAG\|LSEPK}},		{{TAG\|LSEPK}},
			{{TAG\|LPARDH5}}
	{{FILE\|PARCHG}},		{{FILE\|PARCHG}},
			{{FILE\|vaspout.h5}},
	[[Band-decomposed charge densities]]		[[Band-decomposed charge densities]]

Wolloch at 14:51, 22 February 2024

2024-02-22T14:51:46Z

← Older revision		Revision as of 14:51, 22 February 2024
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	{{TAGDEF\|EINT\| [real1] [real2] {{!}} [real1] \| not set}}		{{TAGDEF\|EINT\| [real1] [real2] {{!}} [real1] \| not set}}

	Description: {{TAG\|EINT}} sets the energy interval for bands contributing to the calculation of the partial charge density in eV.		Description: {{TAG\|EINT}} sets the energy interval for bands contributing to the calculation of the [[Band-decomposed charge densities\|partial charge density]] in eV.
	----		----
	*{{TAG\|EINT}}= [real1] [real2]:		*{{TAG\|EINT}}= [real1] [real2]:

Huebsch: /* Related tags and articles */

2024-02-14T07:48:42Z

Related tags and articles

← Older revision		Revision as of 07:48, 14 February 2024
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	{{TAG\|LSEPK}},		{{TAG\|LSEPK}},
	{{FILE\|PARCHG}},		{{FILE\|PARCHG}},
	~~{{TAG\|~~Band decomposed charge densities}}		[[Band-decomposed charge densities]]

	{{sc\|EINT\|Examples\|Examples that use this tag}}		{{sc\|EINT\|Examples\|Examples that use this tag}}

Wolloch: /* Related tags and articles */

2024-02-09T16:38:42Z

Related tags and articles

← Older revision		Revision as of 16:38, 9 February 2024
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	----		----

	[[Category:INCAR tag~~]][[Category:Electronic minimization~~]][[Category:Charge density]]		[[Category:INCAR tag]][[Category:Charge density]]

Huebsch at 12:04, 9 February 2024

2024-02-09T12:04:24Z

← Older revision		Revision as of 12:04, 9 February 2024
Line 27:		Line 27:
	----		----

	~~<!--~~[[Category:INCAR tag]][[Category:Electronic minimization]][[Category:Charge density]]		[[Category:INCAR tag]][[Category:Electronic minimization]][[Category:Charge density]]

Huebsch: Huebsch moved page Construction:EINT to EINT without leaving a redirect

2024-02-09T11:57:23Z

Huebsch moved page Construction:EINT to EINT without leaving a redirect

← Older revision	Revision as of 11:57, 9 February 2024
(No difference)

Wolloch at 09:02, 6 February 2024

2024-02-06T09:02:49Z

← Older revision		Revision as of 09:02, 6 February 2024
Line 8:		Line 8:
	:If only one value is given, the Fermi energy <math>\epsilon_f</math> is used as the other limit [real2] of the interval.		:If only one value is given, the Fermi energy <math>\epsilon_f</math> is used as the other limit [real2] of the interval.
	----		----
	{{NB\| important \| The energies ~~set~~ in {{TAG\|EINT}} are ~~interpreted~~ as ~~absolute energies~~ if {{TAG\|NBMOD}} {{=}} -2, but ~~as relative with respect~~ to the Fermi energy <math>\epsilon_f</math> if {{TAG\|NBMOD}} {{=}} -3.}}		{{NB\| important \| The energies passed in {{TAG\|EINT}} are used as set if {{TAG\|NBMOD}} {{=}} -2, but will be added to the Fermi energy (<math>\epsilon_f</math> + real1 and <math>\epsilon_f</math> + real2) if {{TAG\|NBMOD}} {{=}} -3.}}
	If [real1] is larger than [real2], the two values will be flipped internally, so a meaningful energy interval is used.		If [real1] is larger than [real2], the two values will be flipped internally, so a meaningful energy interval is used.

	If {{TAG\|EINT}} is set, but {{TAG\|NBMOD}} is not, it will be internally set to {{TAG\|NBMOD}} = -2.		If {{TAG\|EINT}} is set, but {{TAG\|NBMOD}} is not, it will be internally set to {{TAG\|NBMOD}} = -2, and the input values of {{TAG\|EINT}} will be treated as absolute energies.

	{{TAG\|EINT}} can be conveniently used in combination with {{TAG\|NBMOD}} = -3 to mimic the bias-voltage for [[STM_of_graphene\|simulating a scanning tunneling microscope image]].		{{TAG\|EINT}} can be conveniently used in combination with {{TAG\|NBMOD}} = -3 to mimic the bias-voltage for [[STM_of_graphene\|simulating a scanning tunneling microscope image]].

Wolloch: /* Related tags and articles */

2024-02-02T14:03:44Z

Related tags and articles

← Older revision		Revision as of 14:03, 2 February 2024
Line 27:		Line 27:
	----		----

	[[Category:INCAR tag]][[Category:Electronic minimization]][[Category:Charge density]]		<!--[[Category:INCAR tag]][[Category:Electronic minimization]][[Category:Charge density]]

← Older revision		Revision as of 11:29, 18 December 2024
Line 21:		Line 21:
	{{TAG\|LSEPB}},		{{TAG\|LSEPB}},
	{{TAG\|LSEPK}},		{{TAG\|LSEPK}},
	~~<!--~~{{TAG\|LPARDH5}},~~-->~~		{{TAG\|LPARDH5}},
	{{FILE\|PARCHG}},		{{FILE\|PARCHG}},
	{{FILE\|vaspout.h5}},		{{FILE\|vaspout.h5}},

← Older revision		Revision as of 11:40, 14 June 2024
Line 13:		Line 13:
	If {{TAG\|EINT}} is set, but {{TAG\|NBMOD}} is not, it will be internally set to {{TAG\|NBMOD}} = -2, and the input values of {{TAG\|EINT}} will be treated as absolute energies.		If {{TAG\|EINT}} is set, but {{TAG\|NBMOD}} is not, it will be internally set to {{TAG\|NBMOD}} = -2, and the input values of {{TAG\|EINT}} will be treated as absolute energies.

	{{TAG\|EINT}} can be conveniently used in combination with {{TAG\|NBMOD}} = -3 to mimic the bias-voltage for [[STM_of_graphene\|simulating a scanning tunneling microscope image]].		{{TAG\|EINT}} can be conveniently used in combination with {{TAG\|NBMOD}} = -3 to mimic the bias-voltage for [[STM_of_graphene\|simulating a scanning-tunneling-microscope image]].
	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|LPARD}},		{{TAG\|LPARD}},
Line 21:		Line 21:
	{{TAG\|LSEPB}},		{{TAG\|LSEPB}},
	{{TAG\|LSEPK}},		{{TAG\|LSEPK}},
	{{TAG\|LPARDH5}}		<!--{{TAG\|LPARDH5}},-->
	{{FILE\|PARCHG}},		{{FILE\|PARCHG}},
	{{FILE\|vaspout.h5}},		{{FILE\|vaspout.h5}},

← Older revision		Revision as of 09:52, 13 June 2024
Line 21:		Line 21:
	{{TAG\|LSEPB}},		{{TAG\|LSEPB}},
	{{TAG\|LSEPK}},		{{TAG\|LSEPK}},
			{{TAG\|LPARDH5}}
	{{FILE\|PARCHG}},		{{FILE\|PARCHG}},
			{{FILE\|vaspout.h5}},
	[[Band-decomposed charge densities]]		[[Band-decomposed charge densities]]

← Older revision		Revision as of 07:48, 14 February 2024
Line 22:		Line 22:
	{{TAG\|LSEPK}},		{{TAG\|LSEPK}},
	{{FILE\|PARCHG}},		{{FILE\|PARCHG}},
	~~{{TAG\|~~Band decomposed charge densities}}		[[Band-decomposed charge densities]]

	{{sc\|EINT\|Examples\|Examples that use this tag}}		{{sc\|EINT\|Examples\|Examples that use this tag}}