Relaxation Results

{% include "core_components/base_data_types/calculation.html" %} {% include "core_components/base_data_types/structure.html" %} {% if table_entry.structure_final %} {% include "core_components/base_data_types/thermodynamics.html" with table_entry=table_entry.structure_final %} {% include "core_components/base_data_types/forces.html" with table_entry=table_entry.structure_final %} {% else %}
>Relaxation is not complete. No thermo/force data to display.
{% endif %}

Electronic:

WARNING: even though some relaxations provide this information, these values are very rough estimates. For accurate values, only use values from band structure or density of states calculations.

Relaxation detail:

Volume change: {{ table_entry.volume_change }}

{{ table_entry.get_relaxation_convergence_html_div | safe }}