{{ e.symbol }}
{{ e.name }}
{{ e.atomicNumber }}
{{ getMass(e) }}
{{ e.symbol }}
{{ e.name }}
{{ e.atomicNumber }}
{{ getMass(e) }}
{{ptable[selected].name}}
[?]
Symbol: {{ ptable[selected].symbol }}
Group: {{ ptable[selected].groupBlock }}
Electronic config.: {{ ptable[selected].electronicConfiguration }}
Bond type: {{ ptable[selected].bondingType }}
Group: {{ ptable[selected].groupBlock }}
Electronic config.: {{ ptable[selected].electronicConfiguration }}
Bond type: {{ ptable[selected].bondingType }}
Default:
{{ pspot[selected].deflib || '' }} No default found.
{{ pspot[selected].deflib || '' }} No default found.
No pseudopotential files available for this element.
Pseudopotential name | Description | Cutoff (eV, FINE quality) | XC functional |
{{ lib }} | {{ pspot.descriptions[lib] }} | {{ pp.cutoffs['FINE'] }} | {{ pp.xc }} |