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- ISIF (category Pages with math render errors){\displaystyle E } with respect to the strain tensor Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot...3 KB (416 words) - 16:05, 6 February 2024
- KPOINTS (category Pages with math render errors)reciprocal lattice vectors Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from...29 KB (4,683 words) - 18:41, 1 September 2022
- DOSCAR (category Pages with math render errors)between two pins, i.e. Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from...4 KB (980 words) - 13:20, 30 August 2022
- Hybrid functionals: formalism (category Pages with math render errors) (section Error function screening with short-range Hartree-Fock exchange)\mathbf{r}-\mathbf{r}' \vert} } with Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase...13 KB (3,532 words) - 12:25, 19 October 2023
- Langevin thermostat (category Pages with math render errors)equations of motion Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from...1 KB (273 words) - 14:04, 7 April 2022
- Tkatchenko-Scheffler method (category Pages with math render errors)following relations: Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from...7 KB (1,395 words) - 10:48, 19 January 2024
- ENCUTGW (category Pages with math render errors)computational work load: Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from...5 KB (822 words) - 14:07, 24 April 2023
- ACFDT/RPA calculations (category Pages with math render errors)energies converge very slowly with respect to Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect...22 KB (4,417 words) - 14:36, 20 February 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 (3,011 words) - 08:32, 19 October 2023
- 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
- Phonons from finite differences (category Pages with math render errors)coordinates. There should be 3Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from...9 KB (1,303 words) - 09:41, 23 October 2023
- Downsampling of the Hartree-Fock operator (category Pages with math render errors)be used with utmost care for large supercells with coarse Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension...11 KB (2,900 words) - 11:47, 19 July 2022
- GW approximation of Hedin's equations (category Pages with math render errors)out with exponentially suppressed errors, the analytical continuation Σ ( z ) {\displaystyle \Sigma (z)} of the self-energy can be determined with high...14 KB (4,586 words) - 14:45, 20 February 2024
- DFT-D2 (category Pages with math render errors)term takes the form: Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from...5 KB (1,632 words) - 08:52, 19 October 2023
- Phonons: Theory (category Pages with math render errors)(\mathbf{q}), } with the long-range part of the dynamical matrix Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension...14 KB (3,366 words) - 07:23, 20 October 2023
- RPA/ACFDT: Correlation energy in the Random Phase Approximation (category Pages with math render errors)determined with two alternative methods. Direct calculation of Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension...12 KB (4,418 words) - 09:03, 21 February 2024
- ENCUTGWSOFT (category Pages with math render errors)energies converge very slowly with respect to Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect...2 KB (441 words) - 14:18, 24 April 2023
- Constrained–random-phase–approximation formalism (category Pages with math render errors)that are connected with the Bloch functions Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect...13 KB (2,979 words) - 14:38, 20 February 2024
- XAS theory (category Pages with math render errors)long wavelength limit (Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from...6 KB (1,177 words) - 07:50, 19 July 2022
- Ionic contributions to the frequency dependent dielectric function of NaCl (category Pages with math render errors)obtained with the LOPTICS calculation. The static field (Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension...8 KB (1,324 words) - 13:13, 11 November 2021