All public logs

Combined display of all available logs of VASP Wiki. You can narrow down the view by selecting a log type, the username (case-sensitive), or the affected page (also case-sensitive).

• 08:58, 17 October 2023 Miranda.henrique talk contribs created page Vaspwave.h5 (Created page with "The {{FILE|vapwave.h5}} file is the hdf5 counterpart of the {{FILE|WAVECAR}} and {{FILE|CHGCAR}} files. This file contains the orbitals in case {{TAG|LWAVEH5}}=.TRUE. is set i...")
• 19:01, 16 March 2023 Miranda.henrique talk contribs created page Number of G-vectors changed in the star (Created page with "This happens because the number of G vectors in the plane-wave basis for each k-point is determined according to :: <math> \frac{\hbar^2}{2m_e} (\mathbf{G+k})^2 < \text{ENCUT...")
• 09:49, 1 September 2022 Miranda.henrique talk contribs created page LPHON READ FORCE CONSTANTS (Created page with "{{DISPLAYTITLE:LPHON_READ_FORCE_CONSTANTS}} {{TAGDEF|LPHON_READ_FORCE_CONSTANTS|.TRUE. {{!}} .FALSE. }} {{DEF|LPHON_READ_FORCE_CONSTANTS|.FALSE.|}} Description: {{TAG|LPHON_R...")
• 07:59, 12 August 2022 Miranda.henrique talk contribs created page Precision, symmetry and POSCAR (Redirected page to POSCAR#Precision and symmetry) Tag: New redirect
• 12:31, 11 August 2022 Miranda.henrique talk contribs created page PHON DOS (Created page with "{{DISPLAYTITLE:PHON_DOS}} {{TAGDEF|PHON_DOS| 0 {{!}} 1 {{!}} 2 }} {{DEF|PHON_DOS|0|}} Description: Select the approach to use when computing the phonon density-of-states (DOS...")
• 11:46, 11 August 2022 Miranda.henrique talk contribs created page PHON SIGMA (Created page with "{{DISPLAYTITLE:PHON_SIGMA}} {{TAGDEF|PHON_SIGMA| [real] }} {{DEF|PHON_SIGMA|0.0005 eV|}} Description: {{TAG|PHON_SIGMA}} sets the width of the gaussian function in units of e...")
• 10:00, 11 August 2022 Miranda.henrique talk contribs created page PHON NEDOS (Created page with "{{DISPLAYTITLE:PHON_NEDOS}} {{TAGDEF|PHON_NEDOS| [integer] }} {{DEF|PHON_NEDOS|2000|}} Description: {{TAG|PHON_NEDOS}} sets the number of frequency points to use in the compu...")
• 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...")
• 09:12, 26 July 2022 Miranda.henrique talk contribs moved page Diffcult to converge systems to Difficult to converge systems
• 13:11, 20 July 2022 Miranda.henrique talk contribs created page Phonons from density-functional perturbation theory (Created page with "In density functional theory we solve the Hamiltonian :<math> H(\mathbf{k}) | \psi_{n\mathbf{k}} \rangle= e_{n\mathbf{k}}S(\mathbf{k}) | \psi_{n\mathbf{k}} \rangle </math> T...")
• 20:27, 19 July 2022 Miranda.henrique talk contribs moved page Construction:Coulomb singularity to Coulomb singularity
• 19:59, 19 July 2022 Miranda.henrique talk contribs created page PHON G CUTOFF (Created page with "{{TAGDEF|PHON_G_CUTOFF| [3x3xNIONS real] }} {{DEF|PHON_G_CUTOFF|None|}} Description: {{TAG|PHON_G_CUTOFF}} sets the cutoff radius in reciprocal space used to determine the nu...")
• 14:27, 19 July 2022 Miranda.henrique talk contribs created page PHON BORN CHARGES (Created page with "{{TAGDEF|PHON_BORN_CHARGES| [3x3xNIONS real] }} {{DEF|PHON_BORN_CHARGES|None|}} Description: {{TAG|PHON_BORN_CHARGES}} sets the Born effective charges to be used for the dipo...")
• 14:21, 19 July 2022 Miranda.henrique talk contribs created page PHON DIELECTRIC (Created page with "{{TAGDEF|PHON_DIELECTRIC| [3x3 real] }} {{DEF|PHON_DIELECTRIC|None|}} Description: {{TAG|PHON_DIELECTRIC}} sets the static dielectric tensor to be used for the dipole-dipole...")
• 14:10, 19 July 2022 Miranda.henrique talk contribs created page LPHON POLAR (Created page with "{{TAGDEF|LPHON_POLAR|.TRUE. {{!}} .FALSE. }} {{DEF|LPHON_POLAR|.FALSE.|}} Description: {{TAG|LPHON_POLAR}} includes dipole-dipole corrections in the computation of the phonon...")
• 13:51, 19 July 2022 Miranda.henrique talk contribs created page QPOINTS (Created page with "The {{FILE|QPOINTS}} file specifies the ('''q''' points) used to sample the Brillouin zone. This file is used in the context of phonon dispersion calculations. The format is t...")
• 13:35, 19 July 2022 Miranda.henrique talk contribs created page PHON NWRITE (Created page with "{{TAGDEF|PHON_NWRITE|.TRUE. {{!}} .FALSE. }} {{DEF|PHON_NWRITE|.FALSE.|}} Description: {{TAG|PHON_NWRITE}} Determines how much output is written to the {{FILE|OUTCAR}} file...")
• 13:18, 19 July 2022 Miranda.henrique talk contribs created page LPHON DISPERSION (Created page with "{{TAGDEF|LPHON_DISPERSION|.TRUE. {{!}} .FALSE. }} {{DEF|LPHON_DISPERSION|.FALSE.|}} Description: {{TAG|LPHON_DISPERSION}} requests the calculation of the phonon dispersion al...")
• 12:21, 19 July 2022 Miranda.henrique talk contribs created page Construction:Computing the phonon dispersion (Created page with "After computing the force constants using the finite differences or density functional perturbation theory approaches it is possible to compute the phonon dispersion as well a...")
• 10:47, 19 July 2022 Miranda.henrique talk contribs deleted page Category:Lattice Vibrations (content was: "== Theoretical background == *{{TAG|Electron-phonon interactions theory}}. == How to == *<math>\Gamma</math> phonons from finite differences: {{TAG|Phonons from finite differences}}. *{{TAG|Electron-phonon interactions from Monte-Carlo sampling}}. ---- Lattice Vibrations", and the only contributor was "Karsai" (talk))
• 09:27, 19 July 2022 Miranda.henrique talk contribs created page CUTOFF MU (Created page with "{{TAGDEF|CUTOFF_MU| [real]}} {{DEF|CUTOFF_MU| 0.8 * Fermi level of a system with {{TAG|NUM_WANN}} orbitals occupied|}} Description: {{TAG|CUTOFF_MU}} Specifies a cutoff energ...")
• 09:13, 19 July 2022 Miranda.henrique talk contribs created page CUTOFF SIGMA (Created page with "{{TAGDEF|CUTOFF_SIGMA| [real]}} {{DEF|CUTOFF_SIGMA|0.1|}} Description: {{TAG|CUTOFF_SIGMA}} Specifies a broadening <math>\sigma</math> in units of eV in for the cutoff functi...")
• 09:01, 19 July 2022 Miranda.henrique talk contribs created page CUTOFF TYPE (Created page with "{{TAGDEF|CUTOFF_TYPE|erfc {{!}} gaussian {{!}} fermi}} {{DEF|CUTOFF_TYPE|erfc|}} Description: {{TAG|CUTOFF_TYPE}} chooses the type of cutoff function to be used before perfor...")
• 09:17, 10 May 2022 Miranda.henrique talk contribs created page KPOINTS OPT NKBATCH (Created page with "{{DISPLAYTITLE:KPOINTS_OPT_NKBATCH}} {{TAG| KPOINTS_OPT_NKBATCH}} = [integer] Default: {{TAGDEF|KPOINTS_OPT_NKBATCH|Number of k-points in the irreducible Brillouin zone of th...")
• 10:18, 6 April 2022 Miranda.henrique talk contribs created page Construction:FOCKCORR (Created page with "{{TAGDEF|FOCKCORR|[integer]|1 or 2 if {{TAG|LMAXFOCKAE}}>0 }} Description: The tag {{TAG|FOCKCORR}} determines how the Coulomb convergence corrections are applied. ---- The...")
• 06:21, 24 November 2021 Miranda.henrique talk contribs moved page Construction:Diffcult to converge systems to Diffcult to converge systems
• 14:00, 23 November 2021 Miranda.henrique talk contribs created page PROJCAR (Created page with "#REDIRECT {{TAG|LOCPROJ}}")
• 09:03, 8 July 2021 Miranda.henrique talk contribs created page NRMM (Created page with "{{TAGDEF|NRMM|[integer]|4}} Description: {{TAG|NRMM}} sets the maximum number of iterative steps per bands per RMM-DIIS step ({{TAG|IALGO}}=4X). ---- == Related Tags and Sect...")
• 13:04, 26 March 2021 Miranda.henrique talk contribs created page Construction:Diffcult to converge systems (Created page with "There can be many reasons why the SCF convergence is not reached. Naturally, there are also many different possible solutions. Try to create a minimal INCAR file with as...")
• 21:13, 17 February 2021 Miranda.henrique talk contribs created page NUM WANN (Created page with "{{TAGDEF|NUM_WANN|[integer]|{{TAG|NBANDS}}}} Description: Since vasp 6.2.0 {{TAG|NUM_WANN}} determines the number of Wannier orbitals to be used with wannier90. ----") Tag: Visual edit: Switched
• 14:52, 15 February 2021 Miranda.henrique talk contribs created page Talk:Dipole corrections for defects in solids (Created page with "This page should be updated and cleaned up. We should create separate subsections for the different types of issues and their solutions. Users have trouble finding their way...")
• 07:27, 5 February 2021 Miranda.henrique talk contribs deleted page Template:! (content was: "|")
• 16:51, 4 February 2021 Miranda.henrique talk contribs deleted page Cite:sun:prb:11 (This is a dead page)
• 16:51, 4 February 2021 Miranda.henrique talk contribs deleted page Cite:sun:prl:15 (This is a dead page)
• 16:50, 4 February 2021 Miranda.henrique talk contribs deleted page Cite:sun:natm:16 (This is a dead page)
• 16:50, 4 February 2021 Miranda.henrique talk contribs deleted page Cite:sun:jcp:13 (This is a dead page)
• 16:46, 4 February 2021 Miranda.henrique talk contribs deleted page Cite:sun:jcp:12 (This is a dead page)
• 16:42, 4 February 2021 Miranda.henrique talk contribs deleted page Cite:becke:jcp:06 (This is a dead page)
• 16:37, 4 February 2021 Miranda.henrique talk contribs deleted page Cite:tran:prl:09 (This is a dead page)
• 16:37, 4 February 2021 Miranda.henrique talk contribs deleted page Cite:zhao:jcp:06 (This is a dead page)
• 16:21, 4 February 2021 Miranda.henrique talk contribs moved page Style-guide to Construction:Style-guide
• 16:06, 4 February 2021 Miranda.henrique talk contribs moved page Draft:HDF5 support to Construction:HDF5 support without leaving a redirect
• 15:47, 4 February 2021 Miranda.henrique talk contribs created page Draft:HDF5 support (Created page with "Since VASP 6.2.0 we started supporting the feature of reading and writing hdf5 files. The HDF5 [https://www.hdfgroup.org/solutions/hdf5/] file is a hierarchical data file that...")
• 09:30, 20 August 2020 Miranda.henrique talk contribs created page Template:Warning (Created page with "<div style="background:#f9f9f9; border:solid 1px #AAAAAA; margin-bottom:1em; padding:0.4em 0.6em;">File:40px-Ambox_important.png[[Template:{{{1}}}|{{{1}}}]]</div>")
• 09:21, 20 August 2020 Miranda.henrique talk contribs created page File:40px-Ambox important.png
• 09:21, 20 August 2020 Miranda.henrique talk contribs uploaded File:40px-Ambox important.png
• 04:51, 24 June 2020 Miranda.henrique talk contribs uploaded a new version of File:VASP lecture BSE.pdf (Fix on slide 8 where the k-point weight was included in the oscillator. The weight only appears in the absorption formula.)