The CASTEP Pseudopotential Library
{{ 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 }}
Default:
{{ pspot[selected].deflib || '' }} No default found.

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No pseudopotential files available for this element.
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Pseudopotential nameDescriptionCutoff (eV, FINE quality)XC functional
{{ lib }} {{ pspot.descriptions[lib] }} {{ pp.cutoffs['FINE'] }} {{ pp.xc }}
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