User contributions for Csheldon
30 July 2024
- 15:4415:44, 30 July 2024 diff hist +2 Construction:VASP for chemists No edit summary
- 15:4415:44, 30 July 2024 diff hist −2,131 Construction:VASP for chemists No edit summary
- 15:3315:33, 30 July 2024 diff hist −1 Construction:VASP for chemists No edit summary
- 15:3315:33, 30 July 2024 diff hist +2,480 Construction:VASP for chemists No edit summary
- 15:3215:32, 30 July 2024 diff hist +2 Template:Cite No edit summary
- 15:3215:32, 30 July 2024 diff hist +252 Template:Cite No edit summary
- 15:2015:20, 30 July 2024 diff hist −1,096 Born effective charges Blanked the page Tag: Blanking
- 15:2015:20, 30 July 2024 diff hist +1,096 N Construction:VASP for chemists Created page with "Born effective charges # https://journals.aps.org/prb/abstract/10.1103/PhysRevB.58.6224 Equation: ::<math> Z_{\kappa,\beta\alpha}^* =\Omega_0\frac{\partial \mathcal{P}_{\mathrm{mac},\beta}}{\partial \tau_{\kappa,\alpha}(\textbf{q=0})} =\Omega_0\frac{\partial F_{\kappa,\alpha}}{\partial \mathcal{E}_\beta} \qquad {\alpha,\beta=x,y,z,}. </math> # https://journals.aps.org/prb/abstract/10.1103/PhysRevB.55.10355 = Introduction = Insert something from paper/ thesis then..."
- 15:1515:15, 30 July 2024 diff hist +1 Born effective charges No edit summary
- 15:1515:15, 30 July 2024 diff hist +1 Born effective charges No edit summary
- 15:1515:15, 30 July 2024 diff hist +1 Born effective charges No edit summary
- 15:1415:14, 30 July 2024 diff hist +9 Born effective charges No edit summary
- 15:1315:13, 30 July 2024 diff hist +2 Born effective charges No edit summary
- 15:1315:13, 30 July 2024 diff hist +10 Born effective charges No edit summary
- 15:1315:13, 30 July 2024 diff hist +1 Born effective charges No edit summary
- 15:1315:13, 30 July 2024 diff hist +5 Born effective charges No edit summary
- 15:1115:11, 30 July 2024 diff hist −1 Born effective charges No edit summary Tag: Visual edit: Switched
- 15:1115:11, 30 July 2024 diff hist +73 Born effective charges No edit summary
- 15:0815:08, 30 July 2024 diff hist −23 Born effective charges No edit summary
- 15:0715:07, 30 July 2024 diff hist +1,017 N Born effective charges Created page with "Born effective charges https://journals.aps.org/prb/abstract/10.1103/PhysRevB.58.6224 Equation: ::<math> Z_{\kappa,\beta\alpha}=\Omega_0 \epsilon^\infty_{ij}=\delta_{ij}+ \frac{4\pi}{\epsilon_0}\frac{\partial P_i}{\partial \mathcal{E}_j} \qquad {i,j=x,y,z}. </math> https://journals.aps.org/prb/abstract/10.1103/PhysRevB.55.10355 = Introduction = Insert something from paper/ thesis then edit MIND THAT VASP outputs it oddly? = Calculating = Taken from Dielctric..."
- 14:5014:50, 30 July 2024 diff hist +100 Pulay stress →More detail explanation
- 14:4814:48, 30 July 2024 diff hist +15 Pulay stress →More detail explanation
- 14:4714:47, 30 July 2024 diff hist +40 Pulay stress →More detail explanation
- 14:4614:46, 30 July 2024 diff hist −10 Pulay stress →More detail explanation
- 14:4614:46, 30 July 2024 diff hist +461 Pulay stress →More detail explanation
- 14:3614:36, 30 July 2024 diff hist +22 Volume relaxation No edit summary
29 July 2024
- 15:5115:51, 29 July 2024 diff hist −81 Pulay stress →More detail explanation
- 15:1215:12, 29 July 2024 diff hist −49 Pulay stress →More detail explanation
- 15:0315:03, 29 July 2024 diff hist 0 File:Pulay stress grids.png Csheldon uploaded a new version of File:Pulay stress grids.png
- 14:4714:47, 29 July 2024 diff hist −20 Pulay stress →More detail explanation
- 14:4214:42, 29 July 2024 diff hist −39 Pulay stress →More detail explanation
- 14:3614:36, 29 July 2024 diff hist +2 Pulay stress →More detail explanation
- 14:3514:35, 29 July 2024 diff hist 0 File:Pulay stress grids.png Csheldon uploaded a new version of File:Pulay stress grids.png
- 14:2914:29, 29 July 2024 diff hist 0 File:Shape pulay grids.png Csheldon uploaded a new version of File:Shape pulay grids.png
- 14:2114:21, 29 July 2024 diff hist −17 Pulay stress →More detail explanation
- 14:2014:20, 29 July 2024 diff hist +42 Pulay stress →More detail explanation
- 14:1614:16, 29 July 2024 diff hist +1 Pulay stress →More detail explanation
- 14:1514:15, 29 July 2024 diff hist +209 Pulay stress →More detail explanation
- 14:1314:13, 29 July 2024 diff hist +78 Pulay stress →More detail explanation
- 14:1214:12, 29 July 2024 diff hist +330 Pulay stress →More detail explanation
- 14:0014:00, 29 July 2024 diff hist 0 Pulay stress →More detail explanation
- 14:0014:00, 29 July 2024 diff hist +99 Pulay stress →More detail explanation
- 13:5913:59, 29 July 2024 diff hist +65 N File:Shape pulay grids.png Change in G-vectors when shape changes and is reset
- 12:1612:16, 29 July 2024 diff hist +17 Pulay stress →More detail explanation
- 12:1512:15, 29 July 2024 diff hist +109 Pulay stress →More detail explanation
- 12:1412:14, 29 July 2024 diff hist +14 Pulay stress →More detail explanation
- 12:1312:13, 29 July 2024 diff hist −498 Pulay stress →More detail explanation
- 11:5111:51, 29 July 2024 diff hist 0 Pulay stress →More detail explanation
- 11:5111:51, 29 July 2024 diff hist −2 Pulay stress →More detail explanation
- 10:0610:06, 29 July 2024 diff hist +1 Pulay stress →More detail explanation