PWPAW A Projector Augmented Wave (PAW) code for electronic structure calculation. It is a free software package, distributed under the copyleft GNU General Public License. It is a plane wave implementation of the projector augmented wave (PAW) method developed by for electronic structure calculations within the framework of density functional theory. In addition to the self-consistent calculation of the electronic structure of a periodic solid, the program has a number of other capabilities, including structural geometry optimization and molecular dynamics simulations within the Born–Oppenheimer approximation.
Attributes | Values |
---|---|
rdfs:label |
|
rdfs:comment |
|
dcterms:subject | |
Wikipage page ID |
|
Wikipage revision ID |
|
Link from a Wikipage to another Wikipage | |
sameAs | |
dbp:wikiPageUsesTemplate | |
has abstract |
|
prov:wasDerivedFrom | |
page length (characters) of wiki page |
|
foaf:isPrimaryTopicOf | |
is Link from a Wikipage to another Wikipage of | |
is foaf:primaryTopic of |