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- W3103887024 endingPage "98" @default.
- W3103887024 startingPage "67" @default.
- W3103887024 abstract "The package fhi98PP allows one to generate norm-conserving pseudopotentials adapted to density-functional theory total-energy calculations for a multitude of elements throughout the periodic table, including first-row and transition metal elements. The package also facilitates a first assessment of the pseudopotentials' transferability, either in semilocal or fully separable form, by means of simple tests carried out for the free atom. Various parameterizations of the local-density approximation and the generalized gradient approximation for exchange and correlation are implemented." @default.
- W3103887024 created "2020-11-23" @default.
- W3103887024 creator A5015128861 @default.
- W3103887024 creator A5067145443 @default.
- W3103887024 date "1999-06-01" @default.
- W3103887024 modified "2023-10-18" @default.
- W3103887024 title "Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory" @default.
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- W3103887024 doi "https://doi.org/10.1016/s0010-4655(98)00201-x" @default.
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