User contributions for Csheldon
30 July 2024
- 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
- 10:0410:04, 29 July 2024 diff hist +2 Pulay stress →More detail explanation
- 10:0410:04, 29 July 2024 diff hist +4 Pulay stress →More detail explanation
- 10:0410:04, 29 July 2024 diff hist −5 Pulay stress →More detail explanation
- 10:0210:02, 29 July 2024 diff hist −433 Pulay stress →More detail explanation
- 10:0110:01, 29 July 2024 diff hist −3 Volume relaxation →Introduction
- 09:5909:59, 29 July 2024 diff hist +2,469 Pulay stress No edit summary
- 09:2509:25, 29 July 2024 diff hist −6 Pulay stress →More detail explanation
- 09:2409:24, 29 July 2024 diff hist 0 Pulay stress →More detail explanation
- 09:2409:24, 29 July 2024 diff hist +12 Pulay stress →More detail explanation
- 09:2409:24, 29 July 2024 diff hist 0 Pulay stress →More detail explanation
- 09:2309:23, 29 July 2024 diff hist +117 N File:Pulay stress grids.png New .png version Illustration of volume change on grids, plane wave cutoff, and number of plane waves.
26 July 2024
- 08:1908:19, 26 July 2024 diff hist +49 Pulay stress →Introduction
- 07:4907:49, 26 July 2024 diff hist −13 Pulay stress No edit summary Tag: Manual revert
- 07:4907:49, 26 July 2024 diff hist +13 Pulay stress No edit summary