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- 14:57, 29 August 2024 ML LUSE NAMES (hist | edit) [1,295 bytes] Karsai (talk | contribs) (Created page with "{{DISPLAYTITLE:ML_LUSE_NAMES}} {{TAGDEF|ML_LUSE_NAMES|[logical]|.FALSE.}} Description: Decides whether trainings structures are additionally subdivided into groupes internally due to their structure name. ---- == Related tags and articles == {{TAG|ML_LMLFF}}, {{TAG|ML_WTOTEN}}, {{TAG|ML_WTIFOR}}, {{TAG|ML_WTSIF}}, {{TAG|ML_IWEIGHT}} {{sc|ML_IWEIGHT|Examples|Examples that use this tag}} ---- Category:INCAR tagCategory:Machine-learned force fields")
- 15:07, 30 July 2024 Born effective charges (hist | edit) [3,876 bytes] Csheldon (talk | contribs) (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...")
- 09:52, 15 July 2024 Charge sloshing (hist | edit) [4,427 bytes] Vaspmaster (talk | contribs) (Created page with "600px|thumb|Fig. 1: A handwaving illustration of charge sloshing. A very handwaving illustration of the phenomenon of charge sloshing during the electronic optimization is shown in Fig. 1: * Suppose we have a system with two chemically identical sites (Site 1 and 2), and suppose that in step ''N'' of the electronic optimization the situation is as follows: : At the beginning of iteration ''N'', Site 1 is occupied by 2 electrons, Site 2 is empty....")
