ELPH TRANSPORT NEDOS PLOT: Difference between revisions
(Created page with "{{DISPLAYTITLE:ELPH_TRANSPORT_NEDOS_PLOT}} {{TAGDEF|ELPH_TRANSPORT_NEDOS_PLOT|[integer]| 501}} Description: Specifies the **number of energy points** used to sample the transport distribution function for plotting. {{Available|6.5.0}} ---- This parameter defines the resolution of the energy grid used to compute and store the transport distribution function in {{FILE|vaspout.h5}}. A higher value increases the energy resolution of the plotted transport quantities b...") |
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{{DISPLAYTITLE:ELPH_TRANSPORT_NEDOS_PLOT}} | {{DISPLAYTITLE:ELPH_TRANSPORT_NEDOS_PLOT}} | ||
{{TAGDEF|ELPH_TRANSPORT_NEDOS_PLOT|[integer]| | {{TAGDEF|ELPH_TRANSPORT_NEDOS_PLOT|[integer]| -1}} | ||
Description: | Description: | ||
Specifies the | Specifies the number of energy points used to sample the [[Electronic_transport_coefficients#Transport_distribution_function | transport distribution function]] for plotting. | ||
{{Available|6.5.0}} | {{Available|6.5.0}} | ||
---- | ---- | ||
This parameter defines the resolution of the energy grid used to compute and store the transport distribution function in {{FILE|vaspout.h5}}. | This parameter defines the resolution of the energy grid used to compute and store the transport distribution function in {{FILE|vaspout.h5}}. | ||
The transport function for plotting is evaluated on a linear energy grid of energies between {{TAG|ELPH_TRANSPORT_EMIN_PLOT}} and {{TAG|ELPH_TRANSPORT_EMAX_PLOT}} and with {{TAG|ELPH_TRANSPORT_NEDOS_PLOT}} points. | |||
A higher value increases the energy resolution of the plotted transport quantities but also slightly increases the post-processing time. | A higher value increases the energy resolution of the plotted transport quantities but also slightly increases the post-processing time. | ||
The default value is | The default value of -1 means that the transport function for plotting is not computed by default. If the number if positive (for example 501) then it corresponds to the number of points in the dataset: | ||
<pre class="mw-collapsible"> | <pre class="mw-collapsible"> | ||
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* {{TAG|ELPH_RUN}} | * {{TAG|ELPH_RUN}} | ||
* {{TAG|TRANSPORT_RELAXATION_TIME}} | * {{TAG|TRANSPORT_RELAXATION_TIME}} | ||
[[Category:INCAR tag]][[Category:Electron-phonon_interactions]] | |||
Latest revision as of 09:53, 24 October 2025
ELPH_TRANSPORT_NEDOS_PLOT = [integer]
Default: ELPH_TRANSPORT_NEDOS_PLOT = -1
Description: Specifies the number of energy points used to sample the transport distribution function for plotting.
| Mind: Available as of VASP 6.5.0 |
This parameter defines the resolution of the energy grid used to compute and store the transport distribution function in vaspout.h5. The transport function for plotting is evaluated on a linear energy grid of energies between ELPH_TRANSPORT_EMIN_PLOT and ELPH_TRANSPORT_EMAX_PLOT and with ELPH_TRANSPORT_NEDOS_PLOT points. A higher value increases the energy resolution of the plotted transport quantities but also slightly increases the post-processing time.
The default value of -1 means that the transport function for plotting is not computed by default. If the number if positive (for example 501) then it corresponds to the number of points in the dataset:
$ h5ls -r vaspout.h5 | grep plot
/results/electron_phonon/electrons/transport_1/energy_plot Dataset {501}
/results/electron_phonon/electrons/transport_1/transport_function_plot Dataset {7, 1, 3, 3, 501}