User contributions for Jona

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

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

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}}

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