User contributions for Jona
27 February 2025
- 08:2808:28, 27 February 2025 diff hist +1 Construction:Category:Phonons →Effective potential fitting methods for phonons current
- 08:2808:28, 27 February 2025 diff hist +1 Construction:Category:Phonons →Effective potential fitting methods for phonons
- 08:2308:23, 27 February 2025 diff hist −22 Construction:Effective potential fitting methods for phonons No edit summary current
- 08:2308:23, 27 February 2025 diff hist +159 Construction:Effective potential fitting methods for phonons No edit summary
26 February 2025
- 14:0814:08, 26 February 2025 diff hist +1 Construction:Category:Phonons →Effective potential fitting methods for phonons
- 14:0714:07, 26 February 2025 diff hist −2 Construction:Category:Phonons →Effective potential fitting methods for phonons
- 11:5311:53, 26 February 2025 diff hist −22 Construction:Finite temperature phonon renormalization with velocity correlation functions No edit summary current
- 11:5211:52, 26 February 2025 diff hist +1 Construction:Finite temperature phonon renormalization with velocity correlation functions No edit summary
- 11:5211:52, 26 February 2025 diff hist 0 Construction:Finite temperature phonon renormalization with velocity correlation functions No edit summary
- 11:5211:52, 26 February 2025 diff hist −4 Construction:Finite temperature phonon renormalization with velocity correlation functions →INCAR
- 11:5111:51, 26 February 2025 diff hist +3 Construction:Finite temperature phonon renormalization with velocity correlation functions No edit summary
- 11:5011:50, 26 February 2025 diff hist +494 Construction:Finite temperature phonon renormalization with velocity correlation functions No edit summary
- 11:1511:15, 26 February 2025 diff hist −1 Construction:Effective potential fitting methods for phonons No edit summary
- 11:1511:15, 26 February 2025 diff hist +1,907 N Construction:Effective potential fitting methods for phonons Created page with "== Effective potential fitting methods for phonons == To fit the 2-body and 3-body force constant matrices molecular dynamics simulations are used to sample the effective potential energy surface for a given temperatures, volume and particle number. The molecular dynamics simulations should be conducted in the NVE ensemble, which can be set up using the following example INCAR-file. === INCAR === #INCAR molecular-dynamics tags NVE ensemble IBRION = 0..."
- 10:5310:53, 26 February 2025 diff hist +54 Construction:Category:Phonons →How to
- 10:5210:52, 26 February 2025 diff hist +12 Construction:Category:Phonons →Effective potential fitting methods
- 10:5110:51, 26 February 2025 diff hist −7 Construction:Finite temperature phonon renormalization with velocity correlation functions →INCAR
- 10:4710:47, 26 February 2025 diff hist +469 Construction:Finite temperature phonon renormalization with velocity correlation functions No edit summary
- 10:4210:42, 26 February 2025 diff hist +218 Construction:Finite temperature phonon renormalization with velocity correlation functions No edit summary
- 10:4010:40, 26 February 2025 diff hist +4 Construction:Finite temperature phonon renormalization with velocity correlation functions No edit summary
- 10:3910:39, 26 February 2025 diff hist +697 Construction:Finite temperature phonon renormalization with velocity correlation functions No edit summary
- 10:3010:30, 26 February 2025 diff hist +636 Construction:Finite temperature phonon renormalization with velocity correlation functions No edit summary
- 10:2110:21, 26 February 2025 diff hist +824 Construction:Finite temperature phonon renormalization with velocity correlation functions No edit summary
- 10:0710:07, 26 February 2025 diff hist +495 N Construction:Finite temperature phonon renormalization with velocity correlation functions Created page with "== Finite temperature phonon renormalization with velocity correlation functions == For a finite temperature phonon renormalization finite temperature molecular dynamics trajectories of the considered system are needed. The harmonic phonon eigenvectors are needed because the velocities obtained from the molecular dynamics run have to be projected on these. The molecular dynamics trajectories have to be done in the NVE ensemble which can be set up by the following ex..."
- 10:0210:02, 26 February 2025 diff hist +83 Construction:Category:Phonons →How to
- 09:5509:55, 26 February 2025 diff hist +7 Construction:Category:Phonons →Finite temperature renormalization with velocity correlation functions
- 08:3908:39, 26 February 2025 diff hist +295 Construction:Category:Phonons →Effective potential fitting methods
- 08:3508:35, 26 February 2025 diff hist +263 Construction:Category:Phonons →Effective potential fitting methods
- 08:2908:29, 26 February 2025 diff hist +342 Construction:Category:Phonons →Effective potential fitting methods
- 08:2508:25, 26 February 2025 diff hist +6 Construction:Category:Phonons →Finite temperature renormalization with velocity correlation functions
- 07:4907:49, 26 February 2025 diff hist +10 Construction:Category:Phonons →Finite temperature renormalization with velocity correlation functions
- 07:4707:47, 26 February 2025 diff hist +6 Construction:Category:Phonons →Dynamic matrix and harmonic approximation
- 07:4507:45, 26 February 2025 diff hist −1 Construction:Category:Phonons →Dynamic matrix and harmonic approximation
- 07:4507:45, 26 February 2025 diff hist +1 Construction:Category:Phonons →Dynamic matrix and harmonic approximation
- 07:4507:45, 26 February 2025 diff hist +3 Construction:Category:Phonons No edit summary
- 07:4307:43, 26 February 2025 diff hist +361 Construction:Category:Phonons No edit summary
- 07:0907:09, 26 February 2025 diff hist +39 Construction:Category:Phonons →Finite temperature renormalization with velocity correlation functions
25 February 2025
- 13:2913:29, 25 February 2025 diff hist −1 Construction:Category:Phonons →Finite temperature renormalization with velocity correlation functions
- 13:2813:28, 25 February 2025 diff hist 0 Construction:Category:Phonons →Finite temperature renormalization with velocity correlation functions
- 13:2713:27, 25 February 2025 diff hist −10 Construction:Category:Phonons →Finite temperature renormalization with velocity correlation functions
- 13:2713:27, 25 February 2025 diff hist +988 Construction:Category:Phonons →Finite temperature renormalization with velocity correlation functions
- 13:1813:18, 25 February 2025 diff hist −3 Construction:Category:Phonons No edit summary
- 13:1413:14, 25 February 2025 diff hist +139 Construction:Category:Phonons No edit summary
- 13:0613:06, 25 February 2025 diff hist +511 Construction:Category:Phonons No edit summary
- 12:4212:42, 25 February 2025 diff hist +2,783 N Construction:Category:Phonons Created page with "Phonons are the collective excitation of nuclei in an extended periodic system. Here we will present a short summary with the complete derivation presented on the theory page. Let us start by making the Taylor expansion of the total energy <math>E </math> in terms of the ionic displacement <math> u_{I\alpha} = R_{I\alpha} - R^0_{I\alpha} </math> around the equilibrium positions of the nuclei <math>R^0_{I\alpha}</math> :<math> E(\{\mathbf{R}\})= E(..."
- 12:0712:07, 25 February 2025 diff hist +48 N Construction:Constraints Jona moved page Construction:Constraints to Construction:Geometric constraints current Tag: New redirect
- 12:0712:07, 25 February 2025 diff hist 0 m Construction:Geometric constraints Jona moved page Construction:Constraints to Construction:Geometric constraints current
- 12:0512:05, 25 February 2025 diff hist −1 Construction:Geometric constraints →Related tags and articles
- 12:0412:04, 25 February 2025 diff hist +52 Construction:Geometric constraints No edit summary
- 12:0312:03, 25 February 2025 diff hist +31 Construction:Geometric constraints →{{TAG|ICONST}}