{% extends "base_site.html" %} {% load static %} {% block title %}{{ calculation.input.name }}{% endblock %} {% block extrastyle %} {% endblock %} {% block extrascript %} {{ dos |safe }} {% endblock %} {% block content %}
Quantity | Value |
---|---|
Energy [eV/atom] | {{ calculation.energy_pa | floatformat:-3 }} |
Volume [Å3/atom] | {{ calculation.output.volume_pa | floatformat:-3 }} |
Net magnetic moment [μb/atom] | {{ calculation.magmom_pa | floatformat:-3 }} |
Band Gap [eV] | {{ calculation.band_gap | floatformat:-3 }} |
{{ val | floatformat:-3 }} | {% endfor %}
{{ val | floatformat:-3 }} | {% endfor %}
{{ calculation.output.sxx | floatformat:-3 }} | {{ calculation.output.sxy | floatformat:-3 }} | {{ calculation.output.szx | floatformat:-3 }} |
{{ calculation.output.sxy | floatformat:-3 }} | {{ calculation.output.syy | floatformat:-3 }} | {{ calculation.output.syz | floatformat:-3 }} |
{{ calculation.output.szx | floatformat:-3 }} | {{ calculation.output.syz | floatformat:-3 }} | {{ calculation.output.szz | floatformat:-3 }} |
Position | Forces | |||||||
---|---|---|---|---|---|---|---|---|
species | x | y | z | fx | fx | fx | charge | magmom |
{{ atom.species }} | {{atom.x | floatformat:4}} | {{atom.y | floatformat:4}} | {{atom.z | floatformat:4}} | {{atom.fx | floatformat:4}} | {{atom.fy | floatformat:4}} | {{atom.fz | floatformat:4}} | {{atom.charge | floatformat:-3}} | {{atom.magmom | floatformat:-3}} |
{{ stdout | safe }}
{{ stderr | safe }}