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- CO on Ni 111 surface (category Pages with math errors)outward relaxation of surface due to adsorption: Failed to parse (Conversion error. Server ("cli") reported: "[INVALID]"): {\displaystyle \Delta d_{12} = (8...3 KB (535 words) - 09:55, 14 November 2019
- Berry phases and finite electric fields (category Pages with math render errors)\right)}}\rangle \right) with kj= k⊥+jG||/J (with j=0,..,J-1), and Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension...18 KB (3,037 words) - 13:55, 19 January 2024
- Projector-augmented-wave formalism (category Pages with math render errors)electron wavefunctions Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from...12 KB (3,160 words) - 07:00, 6 September 2024
- NBANDSO (category Pages with math render errors)Fermi-level, and NBANDSO (Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from...2 KB (301 words) - 09:17, 24 June 2022
- VDW S6 (category Pages with math render errors)global scaling factor Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from...605 bytes (102 words) - 16:29, 9 July 2024
- VDW C6 (category Pages with math render errors)Description: VDW_C6 defines the Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from...905 bytes (187 words) - 09:59, 9 February 2024
- Number of bands NBANDS (category Pages with math render errors)potential (ICHARG=12) with an increasing number of bands (e.g. starting from NELECT/2 + NIONS/2). An accuracy of Failed to parse (SVG (MathML can be enabled...1 KB (264 words) - 11:41, 3 November 2020
- VDW A2 (category Pages with math render errors)damping function parameter Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from...497 bytes (96 words) - 07:45, 13 June 2024
- VDW A1 (category Pages with math render errors)damping function parameter Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from...557 bytes (96 words) - 07:43, 13 June 2024
- Energy cut off and FFT mesh (category Pages with math render errors)Technical errors) require a mesh which avoids all wrap around errors. For most calculations, and in particular for the supplied pseudopotentials with the default...8 KB (1,713 words) - 11:46, 3 November 2020
- Wrap-around errors (category Pages that use a deprecated format of the math tags)discuss wrap around errors. Wrap around errors arise if the FFT meshes are not sufficiently large. It can be shown that no errors exist if the FFT meshes...4 KB (998 words) - 16:07, 6 April 2022