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).

07:47, 7 November 2022 Kaltakm talk contribs deleted page Construction:ALL IN ONE (content was: "{{TAGDEF|ALL_IN_ONE|[integer]}} {{DEF|ALL_IN_ONE|-1|}} Description: {{TAG|ALL_IN_ONE}}>0 enables the all-in-one many-body perturbation theory calculations, i.e., {{TAG|ALGO}}=ACFDT[R], [EV]GW0[R], Practical_guide_to_GW_calculations#Fully_self-consistent_GW_caluclations:_GWR|...", and the only contributor was "Kaltakm" (talk))
13:23, 4 November 2022 Kaltakm talk contribs created page Construction:ALL IN ONE (Created page with "{{TAGDEF|ALL_IN_ONE|[integer]}} {{DEF|ALL_IN_ONE|-1|}} Description: {{TAG|ALL_IN_ONE}}>0 enables the all-in-one [[Many-body_perturbation_theory|many-body perturbation theory]...")
13:12, 4 November 2022 Kaltakm talk contribs deleted page Construction:IALL IN ONE MBPT (content was: "{{TAGDEF|IALL_IN_ONE_MBPT|[integer]}} {{DEF|IALL_IN_ONE_MBPT|-1|}} Description: {{TAG|IALL_IN_ONE_MBPT}}>0 enables the all-in-one MBPT calculation, i.e., {{TAG|ALGO}}=(EV)GWR, RPAR, and ACFDTR. It is available as of VASP.6.4.0. ---- In the all-in-one mode, VASP automatically performs the necessary steps prior to the MBPT calculation. The MBPT calculation includes the maximum available number of bands for the chosen {{TAG|ENCUT}}. {{NB|tip|Although all the bands are automatica...")
12:30, 24 October 2022 Tbucko talk contribs created page Many-body dispersion energy with fractionally ionic model for polarizability (Created page with "Details of implementation of the MBD@rsSCS method in VASP are presented in reference {{cite|gould:jctc:16}}. {{NB|mind|This method requires the use of {{TAG|POTCAR}} files fr...")
07:19, 24 October 2022 Tal talk contribs moved page Construction:IALL IN ONE to Construction:IALL IN ONE MBPT
07:03, 24 October 2022 Tal talk contribs created page Construction:IALL IN ONE (Created page with "{{TAGDEF|IALL_IN_ONE_MBPT|0 {{!}} 1 }} {{DEF|IALL_IN_ONE_MBPT|0|}} Description: {{TAG|IALL_IN_ONE_MBPT}} enables the all-in-one MBPT calculation, i.e., {{TAG|ALGO}}= GWR, RP...")
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...")
06:37, 13 August 2022 Huebsch talk contribs moved page Construction:Best practices for machine-learned force fields to Best practices for machine-learned force fields without leaving a redirect
13:54, 12 August 2022 Jona talk contribs created page Construction:Category:Ensembles (Created page with "=== Introduction === A central concept of statistical mechanics is the ensemble. An ensemble consists of a large number of virtual copies of the system of int...")
10:18, 12 August 2022 Huebsch talk contribs created page Performance (Redirected page to Category:Performance) Tag: New redirect
09:56, 12 August 2022 Huebsch talk contribs deleted page Precision, symmetry and POSCAR (content was: "#REDIRECT POSCAR#Precision_and_symmetry", and the only contributor was "Miranda.henrique" (talk))
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
07:38, 12 August 2022 Huebsch talk contribs created page Construction:Ensembles (Created page with "Intro == Theory == == HowTo == == References == <references/> Ensembles Category:Molecular dynamics")
12:31, 11 August 2022 Jona talk contribs created page Construction:NpH ensemble (Created page with "The NpH ensemble (isoenthalpic–isobaric ensemble) is a statistical ensemble that is used to study material properties under the conditions of a c...")
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...")
07:17, 11 August 2022 Huebsch talk contribs deleted page Precision, symmetry and POSCAR (content was: "VASP determines the symmetry of the system from the {{FILE| POSCAR}} file. It is a common mistake, to enter the positions with insufficient precision (too few digits). To make the best use of the symmetry routines in VASP, it is strongly recommended to specify the positions (and lattice parameters) in the {{FILE| POSCAR}} file with at least 7 significant digits (but preferably more). Internal tests for symmetry operations are done against a user-supplied value, specified by {{...")
06:27, 11 August 2022 Huebsch talk contribs moved page Construction:POSCAR to POSCAR without leaving a redirect
06:27, 11 August 2022 Huebsch talk contribs deleted page POSCAR (Deleted to make way for move from "Construction:POSCAR")
14:05, 10 August 2022 User account Verdi talk contribs was created by Vaspmaster talk contribs
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
15:59, 20 July 2022 Tal talk contribs uploaded File:Bsefatband.png
15:49, 20 July 2022 Tal talk contribs created page File:Bsefatband.pdf
15:49, 20 July 2022 Tal talk contribs uploaded File:Bsefatband.pdf
14:51, 20 July 2022 Huebsch talk contribs moved page Phonons from density-functional perturbation theory to Construction:Phonons from density-functional-perturbation theory without leaving a redirect
14:42, 20 July 2022 Tal talk contribs created page Construction:Plotting the BSE fatband structure (Created page with "It can be useful to inspect which electron-hole pairs contribute the most to a particular BSE eigenvector. In VASP it is possible to write the first {{TAG|NBSEEIG}} eigenvecto...")
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...")
12:44, 20 July 2022 Karsai talk contribs created page ML LBASIS DISCARD (Created page with "{{DISPLAYTITLE:ML_LBASIS_DISCARD}} {{TAGDEF|ML_LBASIS_DISCARD|[logical]|.FALSE.}} Description: Controls whether calculation is continued or stopped after the maximum number o...")
07:46, 20 July 2022 Jona talk contribs created page Construction:NVE ensemble (Created page with "Category:NVE ensemble == NVE ensemble == The NVE ensemble is a statistical ensemble that is used to study material properties under the conditions of a constant particle...")
20:27, 19 July 2022 Miranda.henrique talk contribs moved page Construction:Coulomb singularity to Coulomb singularity