User contributions for Huebsch
7 March 2025
- 10:3910:39, 7 March 2025 diff hist +1 WRT NMRCUR No edit summary
- 10:3710:37, 7 March 2025 diff hist +28 WRT NMRCUR No edit summary
- 10:3610:36, 7 March 2025 diff hist +2,344 N WRT NMRCUR Created page with "{{TAGDEF|WRT_NMRCUR|0 {{!}} 1 {{!}} 2 {{!}} 3 {{!}} 4| 0 }} Description: Allows to write the NMR current response in atomic units to file. ---- In conjunction with {{TAGO|LCHIMAG|True}}, {{TAG|WRT_NMRCUR}} allows to write the current response on the fine grid {{TAG|NGXF}} x {{TAG|NGYF}} x {{TAG|NGZF}} in atomic units (hartree bohr<math>^{-2}</math>) to an external magnetic field within linear response NMR. The output is written to {{..."
3 March 2025
- 14:0514:05, 3 March 2025 diff hist −1 Smearing technique No edit summary
28 February 2025
- 14:0114:01, 28 February 2025 diff hist 0 m Electron-energy-loss spectrum Huebsch moved page Construction:Electron-energy-loss-spectrum to Electron-energy-loss spectrum without leaving a redirect
- 14:0014:00, 28 February 2025 diff hist +126 Electron-energy-loss spectrum No edit summary
- 14:0014:00, 28 February 2025 diff hist 0 Time-dependent density-functional theory calculations No edit summary current
- 13:5913:59, 28 February 2025 diff hist 0 m Category:Time-dependent density-functional theory Huebsch moved page Category:Time-dependent density functional theory to Category:Time-dependent density-functional theory without leaving a redirect current
- 13:5813:58, 28 February 2025 diff hist 0 N Category:Time-dependent density-functional theory Created blank page Tag: Visual edit: Switched
- 13:2913:29, 28 February 2025 diff hist +328 The VASP Manual No edit summary
- 13:0613:06, 28 February 2025 diff hist −19 Category:Biased molecular dynamics No edit summary current
- 10:5310:53, 28 February 2025 diff hist +318 CONTCAR ELPH No edit summary current
- 10:4610:46, 28 February 2025 diff hist −1 ELPH POT GENERATE No edit summary
- 10:4610:46, 28 February 2025 diff hist +1 Electron-phonon potential from supercells →Related tags and articles
- 10:2110:21, 28 February 2025 diff hist −607 NMAXFOCKAE Replaced content with "#REDIRECT NMAXFOCKAE and LMAXFOCKAE" current Tag: Replaced
- 10:2010:20, 28 February 2025 diff hist −5,353 LMAXFOCKAE Replaced content with "#REDIRECT NMAXFOCKAE and LMAXFOCKAE" current Tag: Replaced
- 10:1010:10, 28 February 2025 diff hist +417 Optimizing the parallelization No edit summary current
- 08:2508:25, 28 February 2025 diff hist +278 Band-structure calculation using hybrid functionals →Step-by-step instructions current
27 February 2025
- 13:1113:11, 27 February 2025 diff hist −24 Category:Wannier functions No edit summary current
- 10:0210:02, 27 February 2025 diff hist +737 DFT+DMFT calculations No edit summary
- 09:0009:00, 27 February 2025 diff hist +288 Category:Electron-phonon interactions →Choosing the right approach
- 08:2908:29, 27 February 2025 diff hist +183 Category:Electron-phonon interactions No edit summary
- 07:5107:51, 27 February 2025 diff hist +36 Category:Electron-phonon interactions No edit summary
18 February 2025
- 12:5912:59, 18 February 2025 diff hist +233 The VASP Manual No edit summary
- 12:3912:39, 18 February 2025 diff hist −1 CHGCAR →Related tags and articles current
11 February 2025
- 08:5508:55, 11 February 2025 diff hist 0 Template:Cite No edit summary
- 08:5308:53, 11 February 2025 diff hist +138 LDMATRIX No edit summary current
- 08:3908:39, 11 February 2025 diff hist +1 LDMATRIX No edit summary
- 08:3908:39, 11 February 2025 diff hist +1 Known issues No edit summary
- 08:3308:33, 11 February 2025 diff hist 0 m LDMATRIX Huebsch moved page Construction:LDMATRIX to LDMATRIX without leaving a redirect
- 08:3308:33, 11 February 2025 diff hist −4 LDMATRIX No edit summary
- 08:3208:32, 11 February 2025 diff hist +35 LDMATRIX No edit summary
- 08:2608:26, 11 February 2025 diff hist +1 Known issues No edit summary
- 08:2308:23, 11 February 2025 diff hist 0 LOCPOT No edit summary current
- 08:2008:20, 11 February 2025 diff hist +96 Known issues No edit summary
- 08:0608:06, 11 February 2025 diff hist +1 LDMATRIX No edit summary
- 08:0408:04, 11 February 2025 diff hist +3,716 N LDMATRIX Created page with "{{TAGDEF|LDMATRIX|.TRUE. {{!}} .FALSE. | .FALSE.}} Description: Computes the zero-field splitting (ZFS) matrix. ---- To compute the zero-field-splitting (ZFS) tensor due to spin-spin interactions in a collinear magnetic calculation ({{TAGO|ISPIN|2}}), set: {{TAGBL|LDMATRIX}} = True # sets default {{TAGBL|LHFCALC}} = True ; {{TAGBL|AEXX}}=0.0 The ZFS arises from spin-spin interactions between unpaired electrons in a high-spin state with a total spin <math> S \ge..."
10 February 2025
- 15:4915:49, 10 February 2025 diff hist +271 Known issues No edit summary
- 10:5110:51, 10 February 2025 diff hist +266 Template:Cite No edit summary
7 February 2025
- 12:3312:33, 7 February 2025 diff hist −4,885 Time Evolution Redirected page to Time-evolution algorithm current Tag: New redirect
- 12:3112:31, 7 February 2025 diff hist −7 Time-evolution algorithm No edit summary current
- 12:3012:30, 7 February 2025 diff hist 0 m Time-evolution algorithm Huebsch moved page Construction:Time-evolution to Time-evolution algorithm without leaving a redirect
5 February 2025
- 14:4914:49, 5 February 2025 diff hist 0 Practical considerations for transition state finding calculations No edit summary current
- 14:3014:30, 5 February 2025 diff hist 0 Time-evolution algorithm →Related tags and articles
- 13:3613:36, 5 February 2025 diff hist +43 VASPml library No edit summary
- 11:0711:07, 5 February 2025 diff hist 0 Running machine-learned force fields in LAMMPS →Setting up a LAMMPS MD run
- 10:5610:56, 5 February 2025 diff hist +14 Installing VASP.6.X.X →Step 4: Test current
- 10:2810:28, 5 February 2025 diff hist +1 Electron-phonon interactions from Monte-Carlo sampling →Related tags and articles current
- 10:1710:17, 5 February 2025 diff hist +22 Category:Electron-phonon interactions →Stochastic displacements approach
- 10:1510:15, 5 February 2025 diff hist +292 Category:Electron-phonon interactions →Stochastic displacements approach