User contributions for Miranda.henrique
9 February 2024
- 16:1216:12, 9 February 2024 diff hist −16 Category:Phonons No edit summary current
- 15:3015:30, 9 February 2024 diff hist −7 Construction:Electric field response from density-functional-perturbation theory No edit summary current
- 14:5814:58, 9 February 2024 diff hist +185 Construction:Electric field response from density-functional-perturbation theory No edit summary
- 14:0114:01, 9 February 2024 diff hist +108 Construction:Electric field response from density-functional-perturbation theory No edit summary
- 13:3813:38, 9 February 2024 diff hist +32 Construction:Electric field response from density-functional-perturbation theory No edit summary
- 13:3113:31, 9 February 2024 diff hist +785 Construction:Electric field response from density-functional-perturbation theory No edit summary
- 13:1413:14, 9 February 2024 diff hist +405 Construction:Electric field response from density-functional-perturbation theory No edit summary
- 13:0613:06, 9 February 2024 diff hist +300 Construction:Electric field response from density-functional-perturbation theory No edit summary
- 11:3011:30, 9 February 2024 diff hist +403 Construction:Electric field response from density-functional-perturbation theory No edit summary
- 11:2811:28, 9 February 2024 diff hist +425 Construction:Electric field response from density-functional-perturbation theory No edit summary
- 11:2011:20, 9 February 2024 diff hist +757 Construction:Electric field response from density-functional-perturbation theory No edit summary
- 11:1111:11, 9 February 2024 diff hist +595 N Construction:Electric field response from density-functional-perturbation theory Created page with "'''Density-functional-perturbation theory''' provides a way to compute the second-order linear response to ionic displacement, strain, and electric fields. The equations are derived as follows. In density-functional theory, we solve the Kohn-Sham (KS) equations :<math> H(\mathbf{k}) | \psi_{n\mathbf{k}} \rangle= e_{n\mathbf{k}}S(\mathbf{k}) | \psi_{n\mathbf{k}} \rangle, </math> where <math>H(\mathbf{k})</math> is the DFT Hamiltonian, <math>S(\mathbf{k})</math> is the..."
- 10:1410:14, 9 February 2024 diff hist +194 Category:Linear response No edit summary current
8 February 2024
- 16:1216:12, 8 February 2024 diff hist +9 Category:Linear response No edit summary
- 15:0815:08, 8 February 2024 diff hist +12 Static linear response: theory No edit summary current
- 14:4614:46, 8 February 2024 diff hist +1,482 Category:Linear response No edit summary
- 14:0214:02, 8 February 2024 diff hist +28 IBRION →{{TAG|IBRION}}=5 and 6: second derivatives, Hessian matrix, and phonon frequencies (finite differences). current
- 13:5513:55, 8 February 2024 diff hist −20 IBRION →{{TAG|IBRION}}=5 and 6: second derivatives, Hessian matrix and phonon frequencies (finite differences).
- 11:2311:23, 8 February 2024 diff hist −41 LRPA No edit summary current
- 11:2311:23, 8 February 2024 diff hist −41 LEPSILON No edit summary current