EINT: Difference between revisions

Revision as of 14:16, 1 February 2024

EINT = [real1] [real2] | [real1]
Default: EINT = not set

Description: EINT sets the energy interval for bands contributing to the calculation of the partial charge density in eV.

If two values are given, the energy interval between those values is used.

If only one value is given, the Fermi energy

\epsilon _{f}

is used as the other limit [real2] of the interval.

Important: {{{2}}}

If [real1] is larger than [real2], the two values will be flipped internally, so a meaningful energy interval is used.

If EINT is set, but NBMOD is not, it will be internally set to NBMOD = -2.

EINT can be conveniently used in combination with NBMOD = -3 to mimic the bias-voltage for simulating a scanning tunneling microscope image.

@@ 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.
 ----
-{{NB| important | The energies set in {{TAG|EINT}} are interpreted as absolute energies if {{TAGO|NBMOD|-2}}, but as relative with respect to the Fermi energy <math>\epsilon_f</math> if {{TAGO|NBMOD|-3}}.}}
+{{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.}}
 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 {{TAGO|NBMOD|-2}}.
+If {{TAG|EINT}} is set, but {{TAG|NBMOD}} is not, it will be internally set to {{TAG|NBMOD}} = -2.
-{{TAG|EINT}} can be conveniently used in combination with {{TAGO|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 ==
 {{TAG|LPARD}},