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- 10:58, 10 August 2022 Karsai talk contribs moved page Construction:Memory requirement Machine-learned force fields to Construction:Memory requirement for machine-learned force fields
- 10:46, 10 August 2022 Karsai talk contribs created page Construction:Memory requirement Machine-learned force fields (Created page with "==Performance and memory usage== The machine learning code is parallelized using MPI. It is most efficient if scaLAPACK is used, since storing (and working on) large matrices...")
- 10:06, 10 August 2022 Jona talk contribs created page Construction:NpT ensemble (Created page with "The NpT ensemble (isothermal-isobaric ensemble) is a statistical ensemble that is used to study material properties under the conditions of a const...")
- 12:56, 2 August 2022 Miranda.henrique talk contribs moved page Construction:Phonons from density-functional-perturbation theory to Phonons from density-functional-perturbation theory
- 09:51, 2 August 2022 Miranda.henrique talk contribs moved page Construction:Computing the phonon dispersion to Computing the phonon dispersion
- 14:48, 1 August 2022 Miranda.henrique talk contribs created page Static linear response: theory (Created page with "Let’s consider three types of static perturbations # atomic displacements <math display="inline">u_m</math> # homogeneous strains <math display="inline">\eta_j</math> with...")
- 09:38, 1 August 2022 Miranda.henrique talk contribs created page Phonons: Theory (Created page with "To understand them we start by looking at the Taylor expansion of the total energy (<math>E</math>) around the set of equilibrium positions of the nuclei (<math>\{\mathbf{R}^0...")
- 10:40, 27 July 2022 Karsai talk contribs created page File:ERR BEEF CTIFOR vs MD step.png
- 10:40, 27 July 2022 Karsai talk contribs uploaded File:ERR BEEF CTIFOR vs MD step.png
- 09:12, 26 July 2022 Miranda.henrique talk contribs moved page Diffcult to converge systems to Difficult to converge systems
- 07:55, 26 July 2022 Schlipf talk contribs created page File:Bad process binding.png
- 07:55, 26 July 2022 Schlipf talk contribs uploaded File:Bad process binding.png
- 07:55, 26 July 2022 Schlipf talk contribs created page File:Good process binding.png
- 07:55, 26 July 2022 Schlipf talk contribs uploaded File:Good process binding.png
- 07:41, 26 July 2022 Schlipf talk contribs created page File:Communication2.png
- 07:41, 26 July 2022 Schlipf talk contribs uploaded File:Communication2.png
- 07:40, 26 July 2022 Schlipf talk contribs uploaded a new version of File:Communication.png
- 07:35, 26 July 2022 Schlipf talk contribs created page File:Communication.png
- 07:35, 26 July 2022 Schlipf talk contribs uploaded File:Communication.png
- 15:59, 20 July 2022 Tal talk contribs created page File:Bsefatband.png