View source for ELPH SELFEN CARRIER DEN RANGE

{{DISPLAYTITLE:ELPH_SELFEN_CARRIER_DEN_RANGE}}
{{TAGDEF|ELPH_SELFEN_CARRIER_DEN_RANGE|[real array]}}

Description: List of the range of carrier density (in <math>cm^{-3}</math>) at which to compute the phonon-mediated electron self-energy and transport coefficients. 
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{{not released}}

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From each carrier density specified in the array, a positive (electron doping) or negative (hole doping) number of electrons is added to the value of {{TAG|NELECT}} and the chemical potential computed. A range of carrier densities can be defined using {{TAGO|ELPH_SELFEN_CARRIER_DEN_RANGE|l u n}}, where:
* ''l'' is the lower limit of the carrier density range.
* ''u'' is the upper limit of the carrier density range.
* ''n'' is the number of steps between the two limits.
{{NB|important|When ''l'' or ''u'' must both be positive (electrons are added, i.e., ''n''-doping) or negative (electrons are removed from - holes are added to - the system, i.e., ''p''-doping).}}
<!--This can be useful for producing contour plots, e.g., of the ZT figure of merit link to elph-part5 tutorial + add in the list of mu in the OUTCAR?-->

You can add these set three (''l'' ''u'' ''n'') N times, so have several ranges of holes or electrons or both. For example, {{TAGO|ELPH_SELFEN_CARRIER_DEN_RANGE|-1e20 -1e16 51 1e20 1e16 51}} would create a list of two groups of carrier densities, (<code>-1e20 -1e16 51</code>) and (<code>1e20 1e16 51</code>). The first group has 51 different carrier densities of holes between <code>-1e16</code> and <code>-1e20</code>; the second group has 51 different carrier densities of electrons between <code>1e16</code> and <code>1e20</code>. You could also include more groups if you want. You can check the carriers that you have chosen in the {{FILE|OUTCAR}} file:

 Chemical potential calculation:
 ===============================
 
 elph_ismear=-24
 elph_fermi_nedos=     501
 elph_selfen_carrier_den=
  -0.100E+21
  -0.832E+20
  -0.692E+20
 ...
  -0.145E+17
  -0.120E+17
  -0.100E+17
   0.100E+21
   0.832E+20
   0.692E+20
 ...
   0.145E+17
   0.120E+17
   0.100E+17
{{NB|warning|Be careful not to combine holes and electrons in the same group, as this will likely not create the set of density that you desire, e.g.: {{TAGO|ELPH_SELFEN_CARRIER_DEN_RANGE|-1e20 1e20 3}} creates the following carrier density:
 elph_selfen_carrier_den{{=}}
  -0.100E+21
  -0.100E+41
  -0.100E+61
}}

==Related tags and articles==
* [[Transport coefficients including electron-phonon scattering|Transport calculations]]
* [[Electron-phonon accumulators]]
* {{TAG|ELPH_RUN}}
* {{TAG|ELPH_SELFEN_MU}}
* {{TAG|ELPH_SELFEN_MU_RANGE}}
* {{TAG|ELPH_SELFEN_CARRIER_DEN}}
* {{TAG|ELPH_SELFEN_CARRIER_PER_CELL}}
* {{TAG|ELPH_SELFEN_TEMPS}}
* {{TAG|ELPH_SELFEN_TEMPS_RANGE}}
* {{TAG|NELECT}}

[[Category:INCAR tag]][[Category:Electron-phonon_interactions]]