User contributions for Huebsch
11 June 2024
- 15:4715:47, 11 June 2024 diff hist +85 Available pseudopotentials No edit summary
- 15:4615:46, 11 June 2024 diff hist −1 Available pseudopotentials →potpaw.64 (latest, recommended!)
- 15:4515:45, 11 June 2024 diff hist +259 Available pseudopotentials No edit summary
- 15:4115:41, 11 June 2024 diff hist +82 Choosing pseudopotentials →First-row elements
- 15:4015:40, 11 June 2024 diff hist 0 m Choosing pseudopotentials Huebsch moved page Construction:Choosing pseudopotentials to Choosing pseudopotentials without leaving a redirect
- 15:3815:38, 11 June 2024 diff hist −35,662 Available PAW potentials Major rewrite to split this gigantic page into how-to pages and overview pages. Basically we (Michael and Marie-Therese) created a whole category pseudopotentials based on the information. current Tag: New redirect
- 15:3415:34, 11 June 2024 diff hist 0 m Available pseudopotentials Huebsch moved page Construction:Available pseudopotentials to Available pseudopotentials without leaving a redirect
- 15:3315:33, 11 June 2024 diff hist +104 Choosing pseudopotentials No edit summary
- 13:5713:57, 11 June 2024 diff hist −14 POTCAR No edit summary
- 13:5313:53, 11 June 2024 diff hist −4 POTCAR No edit summary
- 13:5213:52, 11 June 2024 diff hist −212 Preparing a POTCAR No edit summary
- 13:4413:44, 11 June 2024 diff hist +359 Preparing a POTCAR →Step-by-step instructions
- 12:5312:53, 11 June 2024 diff hist +2 Category:Calculation setup No edit summary
- 10:3710:37, 11 June 2024 diff hist +152 POTCAR No edit summary
- 10:3210:32, 11 June 2024 diff hist +3,845 POTCAR No edit summary
- 10:2810:28, 11 June 2024 diff hist +35 N Input file Redirected page to Category:Input files current Tag: New redirect
- 10:2110:21, 11 June 2024 diff hist +32 N Prepare a POTCAR Huebsch moved page Prepare a POTCAR to Preparing a POTCAR current Tag: New redirect
- 10:2110:21, 11 June 2024 diff hist 0 m Preparing a POTCAR Huebsch moved page Prepare a POTCAR to Preparing a POTCAR
- 09:5709:57, 11 June 2024 diff hist +39 N Pseudopotential Redirected page to Category:Pseudopotentials current Tag: New redirect
- 09:5409:54, 11 June 2024 diff hist 0 N Category:Pseudopotentials Created blank page
- 09:5209:52, 11 June 2024 diff hist 0 m Preparing a POTCAR Huebsch moved page Construction:Prepare a POTCAR to Prepare a POTCAR without leaving a redirect
- 09:5109:51, 11 June 2024 diff hist +90 Preparing a POTCAR No edit summary
- 09:4409:44, 11 June 2024 diff hist +393 Preparing a POTCAR No edit summary
- 09:3209:32, 11 June 2024 diff hist +4,095 Available pseudopotentials No edit summary
- 08:3708:37, 11 June 2024 diff hist +1,137 Construction:Category:Pseudopotentials No edit summary current
- 08:3708:37, 11 June 2024 diff hist +45 N Optical properties Redirected page to Category:Dielectric properties current Tag: New redirect
- 08:0208:02, 11 June 2024 diff hist +38 N Available potentials Redirected page to Available PAW potentials current Tag: New redirect
- 07:5807:58, 11 June 2024 diff hist −1 Preparing a POTCAR No edit summary
- 07:5807:58, 11 June 2024 diff hist +952 Preparing a POTCAR No edit summary
- 07:4907:49, 11 June 2024 diff hist +55 N XC functionals Redirected page to Category:Exchange-correlation functionals current Tag: New redirect
- 07:4807:48, 11 June 2024 diff hist +55 N XC functional Redirected page to Category:Exchange-correlation functionals current Tag: New redirect
26 May 2024
- 13:4913:49, 26 May 2024 diff hist −10 LWANNIER90 No edit summary
23 May 2024
- 07:2907:29, 23 May 2024 diff hist −4 LMODELHF →References current
- 07:2907:29, 23 May 2024 diff hist −56 LMODELHF →References
- 07:2807:28, 23 May 2024 diff hist +156 HFSCREEN No edit summary current
17 May 2024
- 10:0510:05, 17 May 2024 diff hist −4 Band-decomposed charge densities →Related tags and articles
- 10:0510:05, 17 May 2024 diff hist −77 Band-decomposed charge densities →Related tags and articles
- 07:5507:55, 17 May 2024 diff hist +29 NOMEGA DUMP No edit summary current
- 07:5407:54, 17 May 2024 diff hist +29 NBANDS WAVE No edit summary current
- 07:3307:33, 17 May 2024 diff hist −4 Electrostatics Changed redirect target from Construction:Electrostatics to Category:Electrostatics current Tag: Redirect target changed
8 May 2024
- 12:5612:56, 8 May 2024 diff hist +4 Construction:LWAP No edit summary current
- 12:3312:33, 8 May 2024 diff hist +714 N Construction:LWAP Created page with "{{TAGDEF|LWAP|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: Activate writing the potential for electron-phonon calculations. ---- Write the {{FILE|inwap.yaml}}, {{FILE|LOCAL-POTENTIAL.bin}}, {{FILE|PAW-OVERLAP.bin}}, {{FILE|PAW-STRENGTH.bin}}, {{FILE|QTOT.bin}} and {{FILE|PAW-Rnij.bin}} files at the end of the electronic minimization. These files are in turn read by {{FILE|phelel.hdf5}} to produce the {{FILE|phelel_params.hdf5}} file. == Related tags and articles == {{..."
- 07:3107:31, 8 May 2024 diff hist −2 SCSRAD No edit summary current
- 07:2007:20, 8 May 2024 diff hist −38 CPARAM No edit summary current
- 07:1907:19, 8 May 2024 diff hist −38 BPARAM No edit summary current
- 07:1907:19, 8 May 2024 diff hist −39 ZAB VDW No edit summary current
- 07:1207:12, 8 May 2024 diff hist +11 LSPIN VDW No edit summary current
- 06:3106:31, 8 May 2024 diff hist −60 Category:Molecular dynamics →How to current
- 06:3006:30, 8 May 2024 diff hist +51 Thermodynamic integration with harmonic reference No edit summary current
- 06:2806:28, 8 May 2024 diff hist +33 Category:Ensembles No edit summary current