developers:pseudos
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developers:pseudos [2017/08/10 11:25] – Xavier Gonze | developers:pseudos [2017/08/10 11:27] (current) – Xavier Gonze | ||
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- | ====== File formats | + | ====== File format |
- | The psp files consist of a number of header lines followed by the data on a radial grid. | + | The pseudopotential |
- | The three first lines of the header have the same format and meaning for all norm-conserving pseudopotential files that can be read by ABINIT. They are :\ | + | The three first lines of the header have the same format and meaning for all norm-conserving pseudopotential files that can be read by ABINIT. They are : |
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electrons which would otherwise be unbound in lda (usually 0.000) | electrons which would otherwise be unbound in lda (usually 0.000) | ||
- | At this point, differences might appear in the different file formats, that are described | + | At this point, differences might appear in the different file formats, that are described |
* [[developers: | * [[developers: | ||
* [[developers: | * [[developers: |
developers/pseudos.1502357156.txt.gz · Last modified: 2017/08/10 11:25 by Xavier Gonze