Difference between revisions of "Eel groupID"
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(Created page with "<code>eel_groupID</code> sets the group of atoms for which the electronic_stopping will be applied during the simulation. === Summary === {| class="wikitable" |+ Summary...") |
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| Any valid group ID | | Any valid group ID | ||
| all (for all atoms) | | all (for all atoms) | ||
| − | | <code>[[electronic_stopping]]</code><code>[[thermostat_groupID]]</code>, <code>[[optimize_groupID]]</code>, <code>[[make_group]]</code> | + | | <code>[[electronic_stopping]]</code>, <code>[[eph_groupID]]</code>, <code>[[thermostat_groupID]]</code>, <code>[[optimize_groupID]]</code>, <code>[[make_group]]</code> |
|} | |} | ||
| Line 21: | Line 21: | ||
[[make_group]] = grp1 block 6 2.0 30.0 2.0 30.0 2.0 30.0 | [[make_group]] = grp1 block 6 2.0 30.0 2.0 30.0 2.0 30.0 | ||
| + | [[electronic_stopping]] = .true. | ||
[[eel_groupID]] = grp1 | [[eel_groupID]] = grp1 | ||
Latest revision as of 13:34, 6 November 2023
eel_groupID sets the group of atoms for which the electronic_stopping will be applied during the simulation.
Summary
| Required/optional | Type | Accepted values | Default | See also |
|---|---|---|---|---|
| Optional | String | Any valid group ID | all (for all atoms) | electronic_stopping, eph_groupID, thermostat_groupID, optimize_groupID, make_group
|
Example
make_group = grp1 block 6 2.0 30.0 2.0 30.0 2.0 30.0
electronic_stopping = .true. eel_groupID = grp1
