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8 May 2025
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08:50 | Electron-phonon interactions from Monte-Carlo sampling 2 changes history −4 [Csheldon (2×)] | |||
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08:50 (cur | prev) +1 Csheldon talk contribs | ||||
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08:50 (cur | prev) −5 Csheldon talk contribs | ||||
| 08:43 | Category:Electron-phonon interactions diffhist 0 Mani talk contribs (→Choosing the right approach: Fix typo) | ||||
6 May 2025
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11:57 | Known issues 5 changes history +461 [Huebsch (5×)] | |||
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11:57 (cur | prev) −1 Huebsch talk contribs | ||||
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08:59 (cur | prev) +14 Huebsch talk contribs | ||||
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08:50 (cur | prev) −85 Huebsch talk contribs (Undo revision 30702 by Huebsch (talk)) Tag: Undo | ||||
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08:44 (cur | prev) +85 Huebsch talk contribs Tag: Reverted | ||||
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08:30 (cur | prev) +448 Huebsch talk contribs | ||||
5 May 2025
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15:10 | Construction:VASP from Gaussian type orbitals 10 changes history +110 [Csheldon (10×)] | |||
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15:10 (cur | prev) −1 Csheldon talk contribs (→Selecting the basis) | ||||
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15:10 (cur | prev) −9 Csheldon talk contribs (→k-points) | ||||
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11:45 (cur | prev) −3 Csheldon talk contribs (→Periodic boundary conditions) | ||||
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11:43 (cur | prev) +350 Csheldon talk contribs (→Selecting the basis) | ||||
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09:16 (cur | prev) −4 Csheldon talk contribs (→Selecting the basis) | ||||
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09:16 (cur | prev) −81 Csheldon talk contribs (→Selecting the basis) | ||||
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09:11 (cur | prev) −90 Csheldon talk contribs | ||||
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09:10 (cur | prev) −46 Csheldon talk contribs (→Atom-centered basis) | ||||
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09:04 (cur | prev) −4 Csheldon talk contribs (→Periodic boundary conditions) | ||||
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09:03 (cur | prev) −2 Csheldon talk contribs (→Kohn-Sham equations) | ||||
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09:07 | (Upload log) [Csheldon (3×)] | |||
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09:07 Csheldon talk contribs uploaded a new version of File:Second kpoint on grid cropped.png | ||||
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09:07 Csheldon talk contribs uploaded a new version of File:Plane wave on grid.png | ||||
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09:07 Csheldon talk contribs uploaded a new version of File:Real to reciprocal space.png (Change IBZ to BZ) | ||||
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07:40 | Born effective charges 3 changes history +36 [Csheldon (3×)] | |||
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07:40 (cur | prev) +49 Csheldon talk contribs (→Related tags and articles) | ||||
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07:35 (cur | prev) −14 Csheldon talk contribs (→Introduction) | ||||
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07:35 (cur | prev) +1 Csheldon talk contribs (→Introduction) | ||||
| 07:34 | Berry phases and finite electric fields diffhist 0 Csheldon talk contribs (→Response properties) | ||||
2 May 2025
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13:09 | Practical guide to GW calculations 2 changes history +180 [Kaltakm (2×)] | |||
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13:09 (cur | prev) +85 Kaltakm talk contribs (→Related tags and articles) | ||||
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13:07 (cur | prev) +95 Kaltakm talk contribs (→Optional: RPA Forces) | ||||
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13:05 | Known issues 2 changes history +363 [Miranda.henrique (2×)] | |||
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13:05 (cur | prev) −1 Miranda.henrique talk contribs | ||||
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12:46 (cur | prev) +364 Miranda.henrique talk contribs | ||||
| N 13:00 | LFOCKSTD diffhist +1,192 Kaltakm talk contribs (Created page with "{{DISPLAYTITLE:LFOCKSTD}} {{TAGDEF|LFOCKSTD|[logical]|.FALSE.}} Description: {{TAG|LFOCKSTD}} uses exact one-centre density terms for the exact exchange part of the total energy and RPA forces. ---- {{NB|mind|Avaliable as of 6.5.2.}} This feature is availabe for low-scaling ACFDT/random-phase-approximation (RPA) and GW calculations, i.e. {{TAG|ALGO}}=ACFDTR, RPAR, EVGW0R, GWR. If selected, exact one-center terms in the electronic densit...") | ||||
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12:40 | ACFDT/RPA calculations 9 changes history +1,480 [Kaltakm (9×)] | |||
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12:40 (cur | prev) −25 Kaltakm talk contribs (→Output of low-scaling ACFDT/RPA) | ||||
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12:39 (cur | prev) +183 Kaltakm talk contribs (→Output of low-scaling ACFDT/RPA) | ||||
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12:37 (cur | prev) +420 Kaltakm talk contribs (→Output of low-scaling ACFDT/RPA) | ||||
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12:22 (cur | prev) −3 Kaltakm talk contribs (→General recipe to calculate ACFDT-RPA total energies) | ||||
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12:20 (cur | prev) +1 Kaltakm talk contribs (→General recipe to calculate ACFDT-RPA total energies) | ||||
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12:14 (cur | prev) +35 Kaltakm talk contribs (→General recipe to calculate ACFDT-RPA total energies) | ||||
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12:05 (cur | prev) +94 Kaltakm talk contribs (→Optional: RPA Forces) | ||||
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12:04 (cur | prev) +690 Kaltakm talk contribs (→Possible tests and known issues) | ||||
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11:44 (cur | prev) +85 Kaltakm talk contribs (→Related Tags and Sections) | ||||