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14 June 2024
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15:06 | Construction:Partial charge densities and STM simulations 2 changes history +30 [Wolloch (2×)] | |||
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15:06 (cur | prev) +26 Wolloch talk contribs | ||||
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10:03 (cur | prev) +4 Wolloch talk contribs (→Related tags and articles) | ||||
| 11:53 | LSEPK diffhist +14 Wolloch talk contribs | ||||
| 11:52 | LSEPB diffhist +14 Wolloch talk contribs | ||||
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11:52 | List of hybrid functionals 2 changes history −13 [Huebsch (2×)] | |||
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11:52 (cur | prev) 0 Huebsch talk contribs (→Range-separated hybrid functionals) | ||||
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09:47 (cur | prev) −13 Huebsch talk contribs | ||||
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11:50 | KPUSE 2 changes history +7 [Wolloch (2×)] | |||
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11:50 (cur | prev) 0 Wolloch talk contribs | ||||
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11:50 (cur | prev) +7 Wolloch talk contribs | ||||
| 11:47 | Installing VASP.6.X.X diffhist +90 Huebsch talk contribs (→Step 5: Install) | ||||
| 11:41 | NBMOD diffhist +7 Wolloch talk contribs | ||||
| 11:40 | EINT diffhist +8 Wolloch talk contribs | ||||
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11:37 | Construction:Category:Electron-phonon interactions 4 changes history +857 [Miranda.henrique (4×)] | |||
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11:37 (cur | prev) +125 Miranda.henrique talk contribs (→Transport coefficients including electron-phonon scattering) | ||||
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11:34 (cur | prev) +735 Miranda.henrique talk contribs | ||||
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10:04 (cur | prev) −3 Miranda.henrique talk contribs | ||||
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05:54 (cur | prev) 0 Miranda.henrique talk contribs | ||||
| 10:58 | Construction:NBSEBLOCKO diffhist +93 Tal talk contribs | ||||
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10:57 | Construction:NBSEBLOCKV 2 changes history +92 [Tal (2×)] | |||
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10:57 (cur | prev) −1 Tal talk contribs | ||||
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10:57 (cur | prev) +93 Tal talk contribs | ||||
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10:39 | DFT-D4 2 changes history +47 [Huebsch (2×)] | |||
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10:39 (cur | prev) +40 Huebsch talk contribs | ||||
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10:38 (cur | prev) +7 Huebsch talk contribs (→Usage) | ||||
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10:19 | LPARD 2 changes history −17 [Wolloch (2×)] | |||
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10:19 (cur | prev) 0 Wolloch talk contribs | ||||
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10:13 (cur | prev) −17 Wolloch talk contribs | ||||
| 10:18 | IBAND diffhist +14 Wolloch talk contribs | ||||
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N 10:10 | Construction:Transport coefficients including electron-phonon scattering 4 changes history +6,758 [Miranda.henrique (4×)] | |||
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10:10 (cur | prev) +274 Miranda.henrique talk contribs (→Mobility for semiconductors) | ||||
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09:39 (cur | prev) +74 Miranda.henrique talk contribs (→Thermoelectric coefficients and the ZT figure of merit) | ||||
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09:38 (cur | prev) +2 Miranda.henrique talk contribs | ||||
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09:37 (cur | prev) +6,408 Miranda.henrique talk contribs (Created page with "In the framework of the linearized Boltzman equations, we can compute a few electronic transport observables. The transport coefficients can be evaluated rather straightforwardly under the approximation of the constant relaxation time. The most computationally demanding part of the calculation is the electronic linewidths due to the electron-phonon scattering. As such, it is instructive to start by computing the transport coefficients in the constant-relaxation time appr...") | |||
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10:03 | Construction:Bandgap renormalization due to electron-phonon coupling 3 changes history +759 [Miranda.henrique (3×)] | |||
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10:03 (cur | prev) +606 Miranda.henrique talk contribs (→K-point sampling convergence and extrapolation to infinity) | ||||
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05:53 (cur | prev) −2 Miranda.henrique talk contribs | ||||
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05:51 (cur | prev) +155 Miranda.henrique talk contribs | ||||
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09:38 | Construction:EFOR 4 changes history +247 [Wolloch (4×)] | |||
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09:38 (cur | prev) +182 Wolloch talk contribs | ||||
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07:42 (cur | prev) −17 Wolloch talk contribs (→Setting external forces) | ||||
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07:40 (cur | prev) +16 Wolloch talk contribs | ||||
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07:11 (cur | prev) +66 Wolloch talk contribs | ||||
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07:58 | Construction:ML IERR 2 changes history +186 [Karsai; Jona] | |||
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07:58 (cur | prev) +3 Karsai talk contribs | ||||
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07:00 (cur | prev) +183 Jona talk contribs | ||||
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N 07:56 | Construction:VASPML Fortran-Interface 5 changes history +1,817 [Jona (5×)] | |||
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07:56 (cur | prev) +11 Jona talk contribs | ||||
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07:56 (cur | prev) −3 Jona talk contribs | ||||
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07:55 (cur | prev) +173 Jona talk contribs | ||||
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07:54 (cur | prev) +1,357 Jona talk contribs | ||||
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07:28 (cur | prev) +279 Jona talk contribs (Created page with "There is a new implementation of VASPML written in a c++. Currently the vasp/c++ interface is only available in the developer's version. The implementation of VASPML can only be executed in the {{TAGO|ML_MODE|RUN}}, when refitting was done beforehand with {{TAGO|ML_MODE|REFIT}}.") | |||
| 07:50 | Construction:Müller-Plathe method diffhist +34 Karsai talk contribs | ||||
| 07:29 | MAGMOM diffhist +639 Wolloch talk contribs (→Examples) | ||||
| 07:07 | Construction:Machine learning force field: Theory diffhist 0 Jona talk contribs (→Spilling factor) | ||||
| 06:12 | Category:Wannier functions diffhist +49 Miranda.henrique talk contribs (→Maximally localized Wannier functions using Wannier90) | ||||
| 06:12 | Slow-growth approach diffhist −2 Huebsch talk contribs (→Anderson thermostat) | ||||
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06:10 | Category:Biased molecular dynamics 2 changes history +1 [Huebsch (2×)] | |||
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06:10 (cur | prev) +1 Huebsch talk contribs (→Output) | ||||
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06:10 (cur | prev) +1 Huebsch talk contribs (→Output) | ||||
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06:09 | Template:Cite 2 changes history +579 [Miranda.henrique (2×)] | |||
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06:09 (cur | prev) +1 Miranda.henrique talk contribs | ||||
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06:09 (cur | prev) +578 Miranda.henrique talk contribs | ||||