User contributions for Miranda.henrique
19 October 2023
- 11:4011:40, 19 October 2023 diff hist +32 Makefile.include →HDF5 support (strongly recommended)
- 10:2710:27, 19 October 2023 diff hist +45 Makefile.include →HDF5 support (strongly recommended)
- 10:1710:17, 19 October 2023 diff hist +1 Vaspwave.h5 No edit summary
- 10:1610:16, 19 October 2023 diff hist −1 Construction:Potcar.h5 No edit summary current
- 10:0410:04, 19 October 2023 diff hist −1 Construction:Unitary Matrix Constrained Optimization →Pipek-Mezey orbitals
- 10:0210:02, 19 October 2023 diff hist 0 Template:Cite No edit summary
- 10:0110:01, 19 October 2023 diff hist −113 Construction:Unitary Matrix Constrained Optimization →Pipek-Mezey orbitals
- 10:0110:01, 19 October 2023 diff hist +1 Construction:Unitary Matrix Constrained Optimization No edit summary
- 09:5909:59, 19 October 2023 diff hist −109 Construction:Unitary Matrix Constrained Optimization →Intrinsic bonding orbitals
- 09:5809:58, 19 October 2023 diff hist +551 Template:Cite No edit summary
- 09:2709:27, 19 October 2023 diff hist −141 Construction:Unitary Matrix Constrained Optimization →Introduction
- 09:2609:26, 19 October 2023 diff hist +344 Template:Cite No edit summary
- 09:1509:15, 19 October 2023 diff hist +45 Construction:Potcar.h5 No edit summary
- 07:4007:40, 19 October 2023 diff hist +846 N Construction:Potcar.h5 Created page with "{{DISPLAYTITLE:potcar.h5}} Also as of VASP 6.2.0, it is possible to have all the POTCARs distributed with VASP loaded from a single HDF5 file called {{FILE|potcar.h5}}. To spe..."
17 October 2023
- 12:4812:48, 17 October 2023 diff hist +31 Vaspin.h5 No edit summary
- 12:3912:39, 17 October 2023 diff hist +2 Vaspin.h5 No edit summary
- 12:3912:39, 17 October 2023 diff hist +531 N Vaspin.h5 Created page with "{{DISPLAYTITLE:vaspin.h5}} This file can be used to replace the typical {{FILE|INCAR}}, {{FILE|POSCAR}}, {{FILE|POTCAR}}, and {{FILE|KPOINTS}} files using a single HDF5 file...."
- 12:3612:36, 17 October 2023 diff hist −1 Vaspout.h5 No edit summary
- 12:3212:32, 17 October 2023 diff hist +45 Vaspwave.h5 No edit summary
- 12:3112:31, 17 October 2023 diff hist +1,108 N Vaspout.h5 Created page with "{{DISPLAYTITLE:vaspout.h5}} The {{FILE|vaspout.h5}} file is a hierarchical HDF5 file containing the inputs and outputs of a VASP calculation. To analyze the data in this file..."
- 10:1210:12, 17 October 2023 diff hist 0 Template:Cite No edit summary
- 10:0610:06, 17 October 2023 diff hist −1 Template:Cite No edit summary
- 10:0610:06, 17 October 2023 diff hist +198 Template:Cite No edit summary
- 10:0410:04, 17 October 2023 diff hist −1 Template:Cite No edit summary
- 10:0310:03, 17 October 2023 diff hist +151 Template:Cite No edit summary
- 09:0009:00, 17 October 2023 diff hist +29 Vaspwave.h5 No edit summary
- 08:5808:58, 17 October 2023 diff hist +390 N 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..."
29 September 2023
4 July 2023
- 20:0320:03, 4 July 2023 diff hist +14 PHON DIELECTRIC No edit summary
- 20:0320:03, 4 July 2023 diff hist +14 PHON BORN CHARGES No edit summary
22 June 2023
- 21:1521:15, 22 June 2023 diff hist +264 Computing the phonon dispersion and DOS No edit summary
- 14:4814:48, 22 June 2023 diff hist +78 Computing the phonon dispersion and DOS →Computing the density of states
15 June 2023
23 March 2023
- 12:5612:56, 23 March 2023 diff hist +158 RANDOM SEED No edit summary
16 March 2023
- 19:0219:02, 16 March 2023 diff hist +1 Number of G-vectors changed in the star No edit summary current
- 19:0219:02, 16 March 2023 diff hist −52 Number of G-vectors changed in the star No edit summary
- 19:0119:01, 16 March 2023 diff hist +2,847 N 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..."
23 November 2022
- 10:5610:56, 23 November 2022 diff hist +2 Known issues No edit summary
- 10:5610:56, 23 November 2022 diff hist 0 Known issues No edit summary
- 10:4210:42, 23 November 2022 diff hist +574 Known issues No edit summary
14 November 2022
- 11:2311:23, 14 November 2022 diff hist +313 IPEAD No edit summary current
27 September 2022
- 21:0321:03, 27 September 2022 diff hist +17 GW and dielectric matrix No edit summary current
23 September 2022
- 07:0907:09, 23 September 2022 diff hist 0 Phonons: Theory →Long-range interatomic force constants (LO-TO splitting)
- 07:0907:09, 23 September 2022 diff hist −2 Phonons: Theory →Long-range interatomic force constants (LO-TO splitting)
- 06:5406:54, 23 September 2022 diff hist +38 Category:Phonons →How to
22 September 2022
- 07:2207:22, 22 September 2022 diff hist 0 Phonons: Theory →Long-range interatomic force constants (LO-TO splitting)
- 07:2207:22, 22 September 2022 diff hist 0 Phonons: Theory →Long-range interatomic force constants (LO-TO splitting)
1 September 2022
- 18:4518:45, 1 September 2022 diff hist +11 KSPACING No edit summary
- 18:4118:41, 1 September 2022 diff hist +3 KPOINTS →Automatic k-point mesh
- 18:4018:40, 1 September 2022 diff hist +3 KSPACING No edit summary