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31 May 2024
| 13:52 | Makefile.include.fujitsu a64fx omp diffhist +16 Miranda.henrique talk contribs | ||||
| 13:52 | Makefile.include.fujitsu a64fx diffhist +16 Miranda.henrique talk contribs | ||||
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12:40 | Construction:Time-evolution 11 changes history +1,675 [Pmelo (11×)] | |||
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12:40 (cur | prev) −1 Pmelo talk contribs (→Levels of approximation for the exchange-correlation potential) | ||||
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12:40 (cur | prev) −681 Pmelo talk contribs (→Levels of approximation for the exchange-correlation potential) | ||||
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12:33 (cur | prev) +111 Pmelo talk contribs (→Approximations to the potential) | ||||
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12:19 (cur | prev) −15 Pmelo talk contribs (→TIMEEV versus TDHF) | ||||
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12:17 (cur | prev) +220 Pmelo talk contribs (→LADDER: activation of the screened exchange interaction) | ||||
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10:44 (cur | prev) +1,429 Pmelo talk contribs (→Levels of approximation for the exchange-correlation potential) | ||||
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10:11 (cur | prev) +77 Pmelo talk contribs | ||||
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09:10 (cur | prev) +1 Pmelo talk contribs | ||||
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09:08 (cur | prev) −11 Pmelo talk contribs | ||||
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09:05 (cur | prev) +519 Pmelo talk contribs | ||||
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08:52 (cur | prev) +26 Pmelo talk contribs | ||||
| 09:33 | Known issues diffhist +675 Miranda.henrique talk contribs | ||||
29 May 2024
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14:52 | Construction:Electron-phonon potential from supercells 7 changes history +3,808 [Mani (7×)] | |||
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14:52 (cur | prev) +134 Mani talk contribs (→VASP and phelel: Mention phonopy) | ||||
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14:45 (cur | prev) +605 Mani talk contribs (→VASP and phelel: Add more info on how to use phelel) | ||||
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14:28 (cur | prev) +1,357 Mani talk contribs (→VASP and phelel: Add info to VASP+phelel) | ||||
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13:15 (cur | prev) +42 Mani talk contribs (→VASP internal driver) | ||||
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13:10 (cur | prev) +697 Mani talk contribs (→VASP internal driver: Add more primitive cell info and new FFT info) | ||||
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11:05 (cur | prev) +863 Mani talk contribs (→VASP internal driver: Add POSCAR snippet for primitive cell) | ||||
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09:18 (cur | prev) +108 Mani talk contribs (Move velph info into tip at the beginning) | ||||
27 May 2024
| 17:59 | Known issues diffhist +540 Ftran talk contribs | ||||
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13:57 | Construction:Time-evolution 2 changes history +129 [Pmelo (2×)] | |||
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13:57 (cur | prev) −114 Pmelo talk contribs (→Macroscopic polarizability as a time-dependent integral) | ||||
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13:44 (cur | prev) +243 Pmelo talk contribs (→Macroscopic polarizability as a time-dependent integral) | ||||
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07:54 | Construction:Machine learning force field: Theory 7 changes history +996 [Karsai (7×)] | |||
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07:54 (cur | prev) +56 Karsai talk contribs (→Spilling factor) | ||||
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07:50 (cur | prev) −52 Karsai talk contribs (→Spilling factor) | ||||
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07:50 (cur | prev) +395 Karsai talk contribs (→Spilling factor) | ||||
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07:45 (cur | prev) +134 Karsai talk contribs (→Spilling factor) | ||||
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07:36 (cur | prev) +421 Karsai talk contribs (→Error estimation) | ||||
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07:15 (cur | prev) +42 Karsai talk contribs (→Prediction and error estimates) | ||||
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07:13 (cur | prev) 0 Karsai talk contribs | ||||
| 07:13 | Machine learning force field: Theory diffhist −7 Karsai talk contribs | ||||
26 May 2024
24 May 2024
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14:36 | Category:Dielectric properties 4 changes history +42 [Pmelo (4×)] | |||
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14:36 (cur | prev) +36 Pmelo talk contribs (→Low-frequency corrections from atomic displacements) | ||||
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08:44 (cur | prev) −1 Pmelo talk contribs (→Low-frequency corrections from atomic displacements) | ||||
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08:43 (cur | prev) −49 Pmelo talk contribs (→Low-frequency corrections from atomic displacements) | ||||
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08:39 (cur | prev) +56 Pmelo talk contribs (→Polar materials) | ||||
| 13:36 | Construction:Electron-phonon potential from supercells diffhist +1,083 Mani talk contribs (→VASP internal driver: Add more information for internal driver) | ||||
23 May 2024
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N 16:01 | Construction:Electron-phonon potential from supercells 3 changes history +3,222 [Mani (3×)] | |||
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16:01 (cur | prev) +1,559 Mani talk contribs (Add info on phelel, phelel_params, velph and a few sentences on the internal driver) | ||||
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15:08 (cur | prev) +209 Mani talk contribs (Add more info about supercell size and hint at polar corrections) | ||||
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14:44 (cur | prev) +1,454 Mani talk contribs (Add general introduction and a few words about finite displacements in the supercell) | |||
| 14:06 | IBRION diffhist −2 Kaltakm talk contribs (→{{TAG|IBRION}}=3: ionic relaxation (damped molecular dynamics).) | ||||
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07:29 | LMODELHF 2 changes history −60 [Huebsch (2×)] | |||
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07:29 (cur | prev) −4 Huebsch talk contribs (→References) | ||||
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07:29 (cur | prev) −56 Huebsch talk contribs (→References) | ||||
| 07:28 | HFSCREEN diffhist +156 Huebsch talk contribs | ||||
21 May 2024
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14:12 | GGA 2 changes history +221 [Ftran (2×)] | |||
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14:12 (cur | prev) +20 Ftran talk contribs | ||||
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13:46 (cur | prev) +201 Ftran talk contribs | ||||
| 14:08 | METAGGA diffhist +733 Ftran talk contribs | ||||