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8 May 2024
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N 12:56 | Construction:LWAP 2 changes history +718 [Huebsch (2×)] | |||
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12:56 (cur | prev) +4 Huebsch talk contribs | ||||
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12:33 (cur | prev) +714 Huebsch talk contribs (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 == {{...") | |||
| 07:31 | SCSRAD diffhist −2 Huebsch talk contribs | ||||
| 07:20 | CPARAM diffhist −38 Huebsch talk contribs | ||||
| 07:19 | BPARAM diffhist −38 Huebsch talk contribs | ||||
| 07:19 | ZAB VDW diffhist −39 Huebsch talk contribs | ||||
| 07:12 | LSPIN VDW diffhist +11 Huebsch talk contribs | ||||
| 06:31 | Category:Molecular dynamics diffhist −60 Huebsch talk contribs (→How to) | ||||
| 06:30 | Thermodynamic integration with harmonic reference diffhist +51 Huebsch talk contribs | ||||
| 06:28 | Category:Ensembles diffhist +33 Huebsch talk contribs | ||||
| 06:25 | Deletion log Huebsch talk contribs deleted page Construction:Ensembles (content was: "Intro == Theory == == HowTo == == References == <references/> EnsemblesCategory:Molecular dynamics", and the only contributor was "Huebsch" (talk)) | ||||