Search results
Did you mean: page with many errors
- ISIF (category Pages with math 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 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 (4,666 words) - 18:41, 1 September 2022
- DFT-D2 (category Pages with math render errors)summations are over all Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from...5 KB (1,030 words) - 08:52, 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
- 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
- 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
- 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
- Constrained–random-phase–approximation formalism (category Pages with math 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
- 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
- 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
- DFT+U: formalism (category Pages with math render errors)description of systems with strongly correlated Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect...6 KB (1,662 words) - 15:35, 9 May 2023
- Blocked-Davidson algorithm (category Pages with math render errors)Extend the subspace with the residuals of Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect...3 KB (1,231 words) - 12:31, 14 November 2023
- RMM-DIIS (category Pages with math errors)(H-\epsilon_{\rm app}) \vert \psi \rangle } with Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase...6 KB (1,619 words) - 09:43, 14 November 2023
- 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 (4,194 words) - 14:45, 20 February 2024
- Available PAW potentials (category Pages with math render errors)be used with great care. Due to self-interaction errors, Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension...35 KB (3,787 words) - 15:58, 16 February 2024
- 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
- BEXT (category Pages with math errors)charge density with BEXT=0 and restart with BEXTFailed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot...3 KB (1,077 words) - 12:38, 20 February 2024
- Preconditioning (category Pages with math render errors)5E^{{{\rm {kin}}}}({\mathbf {R}})}}, with Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase...1 KB (504 words) - 15:44, 6 April 2022
- 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 (1,677 words) - 11:46, 3 November 2020
- Thermodynamic integration with harmonic reference (category Pages with math render errors)energy minimum with the atomic position vector Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot...6 KB (2,096 words) - 08:11, 13 November 2023