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REVIEW 3 major objections 5 minor 44 references

Prediction of Ambient-Pressure High-Temperature Superconductivity in Doped Transition-Metal Hydrides

T0 review · 3 major / 5 minor · reviewed 2026-08-06 · deepseek-v4-flash

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Pith's one-line read Electron-doped hydride MgAlFeH6 is predicted to superconduct at about 130 K under ambient pressure.

desk verdict A credible ~130 K computational prediction in a new doped hydride, undercut by the absence of any thermodynamic stability check; deserves review but needs a major caveat or calculation. read the letter →

arxiv 2507.19768 v1 pith:RDKHURUM submitted 2025-07-26 cond-mat.supr-con

Haowei Xu , Olivia Schneble , Rafael Jaramillo , Marek Polański , Ju Li This is my paper · ORCID
classification cond-mat.supr-con
keywords conventionalsuperconductivityhigh-temperaturesuperconductorpredictionambient-pressurehydridecarrierdopingelectron-phononcouplingMg2FeH6vanHovesingularitydensity-of-statesdescriptor
verification ladder T0 review T1 audit T2 compute T3 formal

The pith

A machine-rendered reading of the paper's core claim, the machinery that carries it, and where it could break.

The reading

This paper argues that intrinsically non-metallic hydrides can become high-temperature superconductors at ambient pressure once carriers are introduced, and it identifies a concrete example. Starting from Mg2FeH6, a semiconducting hydride that has been synthesized at ambient conditions, the authors replace one Mg with Al to form MgAlFeH6, which they predict to be dynamically stable and superconducting with a transition temperature up to about 130 K. The paper also proposes a cheap screening descriptor, the geometric mean of the total and hydrogen-projected density of states at the Fermi level, and shows that predicted Tc tracks this quantity across doping levels. If the prediction holds, carrier-doped hydrides would be a new, low-cost route to superconductors that work above liquid-nitrogen temperature without extreme pressure.

What carries the argument

The central object is the average projected electron density of states, $\bar{D} = \sqrt{D_{\mathrm{total}} D_{\mathrm{H}}}$, where $D_{\mathrm{total}}$ and $D_{\mathrm{H}}$ are the total and hydrogen-projected densities of states at the Fermi level. The paper argues that this quantity captures both the number of electrons available for pairing and the strength of hydrogen-mediated electron-phonon coupling, and it uses the descriptor to explain and predict how Tc varies with doping concentration in Mg2FeH6. The complementary mechanism is carrier doping itself: substituting Mg with Al moves the Fermi level into the conduction band near a van Hove singularity, while harmonic phonon calculations establish dynamic stability. The paper also emphasizes a tradeoff, illustrated by the hole-doped MgNaFeH6, where an extremely sharp van Hove peak feeds strong coupling but the structure becomes dynamically unstable with imaginary phonon frequencies across the Brillouin zone.

What would settle it

A formation-enthalpy calculation comparing MgAlFeH6 with mixtures of MgH2, AlH3, Fe, and Al-Fe intermetallics would settle the thermodynamic question: a positive decomposition enthalpy, or a synthesis attempt that yields phase-separated products, would invalidate the practical ambient-pressure claim even if the phonon spectrum remains stable.

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Extended reading notes

Core claim

The central claim is that MgAlFeH6, obtained by substituting one magnesium atom with aluminum in the cubic complex hydride Mg2FeH6, is dynamically stable at ambient pressure and has a large electron-phonon coupling constant λ ≈ 2.1, with anisotropic Eliashberg calculations using μ* between 0.1 and 0.15 yielding Tc ≈ 130 K. The Fermi level is close to a van Hove peak to which hydrogen states contribute substantially, which the paper identifies as the origin of the strong coupling. The paper further finds that a 288-atom supercell with disordered Mg and Al is also dynamically stable and retains the electronic features that should sustain high Tc, and that homogeneous charge doping of Mg2FeH6 at about one electron per formula unit likewise gives Tc near 100 K. It concludes that carrier doping of non-metallic hydrides broadens the search space for practical, ambient-pressure superconductors.

Load-bearing premise

The prediction stands on the assumption that MgAlFeH6 can actually be synthesized and kept at ordinary pressure; the paper shows its atomic vibrations are stable but never checks whether the compound is energetically stable against decomposing into simpler hydrides and metals.

Editorial extensions

If this is right

  • If the prediction is correct, MgAlFeH6 is an ambient-pressure conventional superconductor candidate with Tc near 130 K, above the liquid-nitrogen temperature of 77 K.
  • The geometric-mean density-of-states descriptor gives a fast pre-screen: hydrides with a large value at the Fermi level, typically near a van Hove singularity, are worth expensive full electron-phonon calculations.
  • The same doping strategy can be applied to other non-metallic hydrides, extending the search beyond the noble-metal-containing Mg2XH6 compounds studied previously.
  • Charge doping of Mg2FeH6 produces Tc around 100 K at roughly one electron per formula unit, suggesting that chemical, electrochemical, or electrostatic doping routes could realize the effect in experiments.
  • The predicted tradeoff between high Tc and dynamic stability sets a design constraint: pushing the Fermi level into a very sharp van Hove peak may destabilize the lattice.

Reading between the lines

Editorial extensions of the paper, not claims the author makes directly.

  • The paper leaves open a formation-enthalpy screen of MgAlFeH6 against MgH2, AlH3, Fe, and Mg-Al-Fe intermetallics; without such a screen, whether the compound can actually be made at ambient pressure remains unresolved.
  • The geometric-mean DOS descriptor could be tested retroactively on the known high-pressure hydrides H3S and LaH10; agreement would strengthen it, and disagreement would delimit its range of validity.
  • Because the stability statements are harmonic, finite-temperature anharmonic renormalization of hydrogen vibrations could shift both the predicted Tc and the dynamic stability, a check not performed in the paper.
  • If thin-film electrostatic doping of Mg2FeH6 proves feasible, the resulting near-two-dimensional superconductivity could be relevant for devices, though surface chemistry and strain would decide that case.
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Editorial analysis

A structured set of objections, weighed in public.

Desk editor's note, referee report, and a circularity audit.

Referee Report

3 major / 5 minor

Summary. The manuscript proposes carrier doping of intrinsically non-metallic transition-metal hydrides as a route to ambient-pressure high-Tc superconductivity. Using DFT (PBEsol), harmonic phonon calculations, and anisotropic Migdal-Eliashberg theory with EPW, the authors predict that the Al-substituted compound MgAlFeH6 is dynamically stable and has Tc ≈ 130 K. They further introduce a descriptor Dbar = sqrt(D_total D_H) and use uniform-background-charge doping of Mg2FeH6 to argue that Tc ≈ 100 K can be reached at about one carrier per formula unit, while emphasizing a tradeoff between high Tc and dynamic stability.

Significance. If MgAlFeH6 can be realized near ambient pressure, the result would be significant: it would be a conventional superconductor candidate above liquid-nitrogen temperature built from inexpensive, abundant elements, avoiding the noble metals in the Mg2XH6 family. The computational pipeline is standard and the internal consistency between the explicit Al-substitution calculation and the charge-doping trend is a point in the paper's favor. However, the practical and 'ambient-pressure' framing is conditional on thermodynamic accessibility, which is not demonstrated, and the proposed descriptor has only in-sample support. The paper is therefore a promising computational prediction rather than an established material claim.

major comments (3)
  1. [Abstract / Results (Fig. 2b, Fig. 5)] The manuscript establishes dynamic stability only from harmonic phonons; it never reports formation enthalpies, convex-hull placement, or finite-temperature free energies for MgAlFeH6 against competing phases such as MgH2, AlH3, Fe, Al-Fe intermetallics, or Mg2FeH6 + AlH3. Since MgAlFeH6 is a new stoichiometric phase rather than a dilute dopant of a known compound, the ambient-pressure and practical-applications claims in the Abstract and concluding paragraph require that this phase be thermodynamically accessible or at least kinetically stabilizable. Without this check, the 130 K result describes a hypothetical structure. I ask the authors to add at least a formation-enthalpy/convex-hull calculation and to qualify the claims accordingly.
  2. [Fig. 6 and 'charge doping' paragraph] The Tc-versus-doping curve in Fig. 6 is obtained by varying the total electron count with a uniform compensating background in Mg2FeH6, which is a rigid-band-like approximation. It is then compared with the explicitly substituted MgAlFeH6 and described as being 'in agreement.' However, the two calculations differ in the Al potential, lattice relaxation, and real-space charge distribution, so the agreement is not a validation of the charge-doping proxy. The general claim that Tc up to 100 K can be achieved by generic carrier doping should either be backed by explicit substitutional calculations at intermediate concentrations or be stated as an approximate rigid-band estimate.
  3. [Descriptor Dbar (text after Fig. 6)] The proposed descriptor Dbar = sqrt(D_total D_H) is only tested in-sample: the red curve in Fig. 6 is computed for the same doped Mg2FeH6 systems for which Tc is plotted, so the observed correlation does not by itself establish predictive power for new materials. The concluding statement that Dbar is 'an easy-to-compute genome' that can 'accelerate the discovery' of high-Tc superconductors goes beyond the evidence presented. I recommend adding at least one out-of-sample test, for example by applying the descriptor to the Mg2XH6 families from Refs. [15,16] or to known hydride superconductors, and softening the claim accordingly.
minor comments (5)
  1. [Text after Fig. 2] In the sentence discussing the unstable compound, 'MgNaAlH6' should read 'MgNaFeH6'.
  2. [Text before Fig. 3] The sentence 'The electronic structures of MgAlFeH6 and MgNaFeH6 are plotted in Figure 3a and 3b' is inconsistent with the caption: MgAlFeH6 appears in panel (b) and MgNaFeH6 in panel (c), while panel (a) shows Mg2FeH6.
  3. [Fig. 4 caption] The caption contains the typo 'effective Colomb potential'; it should read 'effective Coulomb potential'.
  4. [Fig. 6 discussion] The sentence 'the structure becomes dynamically stable in this regime' appears to contradict the reported dynamic instability of MgNaFeH6 at n = +1 e/f.u.; if the authors mean that stability returns only for sufficiently large hole doping, that should be stated explicitly and supported by phonon data.
  5. [Methods] The Methods section should specify the plane-wave cutoff, pseudopotential versions, electron smearing parameters, and convergence tests for the k-point and Matsubara-frequency grids; the 25x25x25 fine mesh alone is insufficient to judge the numerical accuracy of a reported Tc ≈ 130 K.

Circularity Check

0 steps flagged · score 0.0 of 10

No significant circularity: the 130 K Tc prediction is computed from first-principles electron-phonon coupling, not from the proposed Dbar descriptor.

full rationale

The paper's central claim, Tc approximately 130 K for MgAlFeH6, is obtained by solving the anisotropic Eliashberg equations from DFT/Wannier-based electron-phonon matrix elements computed with EPW, with mu* taken from conventional values (0.1, 0.125, 0.15) rather than fitted to the target compound. The proposed descriptor Dbar = sqrt(D_total D_H) is introduced after the Tc calculation as a correlating indicator and is not used as an input to compute Tc, so the Tc result does not reduce to the descriptor by construction. The only self-citations (Refs. 30 and 34) concern experimental doping and kinetic stabilization techniques and are not load-bearing for the phonon or electron-phonon calculations. The absence of a thermodynamic stability check is a scientific limitation, but it is not a form of circularity; the derivation chain for the reported Tc is self-contained. No self-definitional step, fitted-input-called-prediction step, or author-imported uniqueness argument was found.

Assumptions & free parameters 1 free parameters · 4 assumptions · 0 invented entities

No new physical entities are introduced. The Dbar descriptor is a derived electronic quantity, not a new force, particle, dimension, or conserved quantity. The main external inputs are the empirical mu* parameter and several domain assumptions about DFT and Eliashberg reliability.

free parameters (1)
  • Coulomb pseudopotential mu* = 0.1, 0.125, 0.15
    Empirical parameter in the Eliashberg equations. The paper does not derive it and sweeps three typical values; the reported Tc of about 130 K depends on this choice.
assumptions (4)
  • domain assumption PBEsol DFT with PAW pseudopotentials gives accurate electronic structure and harmonic phonons for this strongly coupled hydride.
    Standard computational workflow, but anharmonicity and zero-point motion are neglected. The paper provides no convergence tests or error estimates.
  • domain assumption Dynamic stability, defined by absence of imaginary harmonic phonon frequencies, is sufficient to claim ambient-pressure stability.
    The paper uses this criterion in Figures 2 and 5, but dynamic stability does not imply thermodynamic stability against decomposition.
  • ad hoc to paper Varying the total electron number with a uniform compensating background charge mimics physical carrier doping in Mg2FeH6.
    Used for the Tc versus doping curve in Figure 6. This rigid-band-like approximation neglects structural relaxation and the chemical identity of real dopants.
  • domain assumption Migdal-Eliashberg theory with mu* between 0.1 and 0.15 gives reliable Tc for a strong-coupling system with lambda about 2.1.
    Standard for conventional superconductors, but extrapolating the anisotropic gap to zero adds uncertainty, and large lambda can amplify errors.

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Cite this review

Pith. "Pith review of Prediction of Ambient-Pressure High-Temperature Superconductivity in Doped Transition-Metal Hydrides." pith.science (2026). https://pith.science/paper/RDKHURUM

@misc{pith2026250719768,
  author       = {Pith},
  title        = {Pith review of: Prediction of Ambient-Pressure High-Temperature Superconductivity in Doped Transition-Metal Hydrides},
  year         = {2026},
  howpublished = {\url{https://pith.science/paper/RDKHURUM}},
  note         = {Machine review of arXiv:2507.19768}
}
abstract

The search for conventional superconductors with high transition temperatures ($T_c$) has largely focused on intrinsically metallic compounds. In this work, we explore the potential of intrinsically non-metallic compounds to exhibit high-$T_c$ superconductivity under ambient pressure through carrier doping. We identify $\rm MgAlFeH_6$, a representative of carrier-doped transition-metal hydrides like $\rm Mg_2FeH_6$, as a promising example with a predicted $T_c \approx 130~\rm K$. We propose that the average projected electron density of states, defined as the geometric mean of the total and hydrogen-projected density of states at the Fermi level, serves as a simple and computationally inexpensive indicator of high-$T_c$ behavior. We also highlight the tradeoff between high-$T_c$ and dynamic stability, both of which depend on the electron density of states. Our findings thus expand the pool of potential superconducting materials and offer a practical route for accelerating the discovery of superconductors suitable for real-world applications.

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Works this paper leans on

44 extracted references · 34 canonical work pages

  1. [1]

    J. G. Bednorz and K. A. Müller, Possible highTc superconductivity in the Ba−La−Cu−O system, Z. Physik B - Condensed Matter 64, 189 (1986)

    work page 1986

  2. [2]

    J. G. Bednorz and K. A. Mü ller, Perovskite-type oxides---The new approach to high- ${T}_{c}$ superconductivity, Rev. Mod. Phys. 60, 585 (1988)

    work page 1988

  3. [3]

    Bardeen, L

    J. Bardeen, L. N. Cooper, and J. R. Schrieffer, Microscopic Theory of Superconductivity, Phys. Rev. 106, 162 (1957)

    work page 1957

  4. [4]

    Bardeen, L

    J. Bardeen, L. N. Cooper, and J. R. Schrieffer, Theory of Superconductivity, Phys. Rev. 108, 1175 (1957)

    1957

  5. [5]

    Y. Li, J. Hao, H. Liu, Y. Li, and Y. Ma, The metallization and superconductivity of dense hydrogen sulfide, The Journal of Chemical Physics 140, 174712 (2014)

    work page 2014

  6. [6]

    D. Duan, Y. Liu, F. Tian, D. Li, X. Huang, Z. Zhao, H. Yu, B. Liu, W. Tian, and T. Cui, Pressure -induced metallization of dense (H2S)2H2 with high-Tc superconductivity, Sci Rep 4, 6968 (2014)

    work page 2014

  7. [7]

    A. P. Drozdov, M. I. Eremets, I. A. Troyan, V. Ksenofontov, and S. I. Shylin, Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system, Nature 525, 73 (2015)

    2015

  8. [8]

    Y. Li, J. Hao, H. Liu, J. S. Tse, Y. Wang, and Y. Ma, Pressure-stabilized superconductive yttrium hydrides, Sci Rep 5, 9948 (2015)

    work page 2015

Show all 44 references
  1. [9]

    Superconductive Sodalite-like Clathrate Calcium Hydride at High Pressures | PNAS, https://www.pnas.org/doi/full/10.1073/pnas.1118168109. 14

    doi

  2. [10]

    Evidence for Superconductivity above 260 K in Lanthanum Superhydride at Megabar Pressures | Phys. Rev. Lett., https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.122.027001

    doi

  3. [11]

    A. P. Drozdov et al., Superconductivity at 250 K in lanthanum hydride under high pressures, Nature 569, 528 (2019)

    2019

  4. [12]

    Errea et al., Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride, Nature 578, 66 (2020)

    I. Errea et al., Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride, Nature 578, 66 (2020)

    2020

  5. [13]

    Y. He, J. Lu, X. Wang, and J. Shi, Phonon-mediated superconductivity in the metal-bonded perovskite ${\mathrm{Al}}_{4}\mathrm{H}$ up to 54 K under ambient pressure, Phys. Rev. B 108, 054515 (2023)

    2023

  6. [14]

    He and J.-J

    Y. He and J.-J. Shi, Few-Hydrogen High-Tc Superconductivity in (Be4)2H Nanosuperlattice with Promising Ductility under Ambient Pressure, Nano Lett 23, 8126 (2023)

    2023

  7. [15]

    Sanna, T

    A. Sanna, T. F. T. Cerqueira, Y.-W. Fang, I. Errea, A. Ludwig, and M. A. L. Marques, Prediction of ambient pressure conventional superconductivity above 80 K in hydride compounds, Npj Comput Mater 10, 44 (2024)

    2024

  8. [16]

    Dolui, L

    K. Dolui, L. J. Conway, C. Heil, T. A. Strobel, R. P. Prasankumar, and C. J. Pickard, Feasible Route to High - Temperature Ambient-Pressure Hydride Superconductivity, Phys. Rev. Lett. 132, 166001 (2024)

    2024

  9. [17]

    (IUCr) Recent Developments in the Inorganic Crystal Structure Database: Theoretical Crystal Structure Data and Related Features, https://onlinelibrary.wiley.com/iucr/doi/10.1107/S160057671900997X

    doi

  10. [18]

    Jain et al., Commentary: The Materials Project: A materials genome approach to accelerating materials innovation, APL Mater

    A. Jain et al., Commentary: The Materials Project: A materials genome approach to accelerating materials innovation, APL Mater. 1, (2013)

    2013

  11. [19]

    Doping a Mott Insulator: Physics of High-Temperature Superconductivity | Rev. Mod. Phys., https://journals.aps.org/rmp/abstract/10.1103/RevModPhys.78.17

    doi

  12. [20]

    Superconductivity in Diamond | Nature, https://www.nature.com/articles/nature02449

  13. [21]

    Synthesis and Hydrogen Storage Properties of Mg-Based Complex Hydrides with Multiple Transition Metal Elements | ACS Applied Energy Materials, https://pubs.acs.org/doi/10.1021/acsaem.4c02871

    doi

  14. [22]

    Rzeszotarska, J

    M. Rzeszotarska, J. Dworecka-Wójcik, A. Dębski, T. Czujko, and M. Polański, Magnesium-based complex hydride mixtures synthesized from stainless steel and magnesium hydride with subambient temperature hydrogen absorption capability, Journal of Alloys and Compounds 901, 163489 (2022)

    2022

  15. [23]

    Hydrides: Solid State Transition Metal Complexes - Yvon - 2005 - Major Reference Works - Wiley Online Library, https://onlinelibrary.wiley.com/doi/abs/10.1002/0470862106.ia087

    2005 doi

  16. [24]

    S. S. Sai Raman, D. J. Davidson, J.-L. Bobet, and O. N. Srivastava, Investigations on the synthesis, structural and microstructural characterizations of Mg-based K2PtCl6 type (Mg2FeH6) hydrogen storage material prepared by mechanical alloying, Journal of Alloys and Compounds 3...

    2002

  17. [25]

    Retuerto, J

    M. Retuerto, J. A. Alonso, R. Martí nez, F. Jimé nez-Villacorta, J. Sá nchez-Bení tez, M. T. Ferná ndez-Dí az, C. A. Garcia-Ramos, and T. Ruskov, Neutron Powder Diffraction, x-ray absorption and Mö ssbauer spectroscopy on Mg2FeH6, International Journal of Hydrogen Energy 40, 9...

    2015

  18. [26]

    J. J. Didisheim, P. Zolliker, K. Yvon, P. Fischer, J. Schefer, M. Gubelmann, and A. F. Williams, Dimagnesium Iron(II) Hydride, Mg2FeH6, Containing Octahedral FeH64- Anions, https://doi.org/10.1021/ic00181a032

    doi

  19. [27]

    Instability of Metals with Respect to Strong Electron-Phonon Interaction | Phys. Rev. Lett., https://journals.aps.org/prl/abstract/10.1103/sf5p-2g5l

    doi

  20. [28]

    Fr\"ohlich Electron-Phonon Vertex from First Principles | Phys. Rev. Lett., https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.115.176401

    doi

  21. [29]

    E. R. Margine and F. Giustino, Anisotropic Migdal-Eliashberg theory using Wannier functions, Phys. Rev. B 87, 024505 (2013)

    2013

  22. [30]

    M. Onen, N. Emond, B. Wang, D. Zhang, F. M. Ross, J. Li, B. Yildiz, and J. A. del Alamo, Nanosecond protonic programmable resistors for analog deep learning, Science 377, 539 (2022)

    2022

  23. [31]

    Stalling Oxygen Evolution in High-Voltage Cathodes by Lanthurization | Nature Energy, https://www.nature.com/articles/s41560-022-01179-3

  24. [32]

    Y. Dong, A. T. Motta, and E. A. Marquis, Atom probe tomography study of alloying element distributions in Zr alloys and their oxides, Journal of Nuclear Materials 442, 270 (2013)

    2013

  25. [33]

    Superconductivity and Pronounced Electron‐Phonon Coupling in Rock‐Salt Al1−xO1−x and Ti1−xO1−x - Žguns - 2024 - Advanced Electronic Materials - Wiley Online Library, https://advanced.onlinelibrary.wiley.com/doi/full/10.1002/aelm.202400141

    2024 doi

  26. [34]

    W. Fan, B. Wang, R. Gao, G. Dimitrakopoulos, J. Wang, X. Xiao, L. Ma, K. Wu, B. Yildiz, and J. Li, Anodic Shock-Triggered Exsolution of Metal Nanoparticles from Perovskite Oxide, J. Am. Chem. Soc. 144, 7657 (2022)

    2022

  27. [35]

    Rev., https://journals.aps.org/pr/abstract/10.1103/PhysRev.136.B864

    Inhomogeneous Electron Gas | Phys. Rev., https://journals.aps.org/pr/abstract/10.1103/PhysRev.136.B864. 15

    doi

  28. [36]

    Kohn, Self-Consistent Equations Including Exchange and Correlation Effects, Phys

    W. Kohn, Self-Consistent Equations Including Exchange and Correlation Effects, Phys. Rev. 140, A1133 (1965)

    1965

  29. [37]

    Giannozzi et al., QUANTUM ESPRESSO: a modular and open -source software project for quantum simulations of materials, J

    P. Giannozzi et al., QUANTUM ESPRESSO: a modular and open -source software project for quantum simulations of materials, J. Phys.: Condens. Matter 21, 395502 (2009)

    2009

  30. [38]

    Giannozzi et al., Advanced capabilities for materials modelling with Quantum ESPRESSO, J

    P. Giannozzi et al., Advanced capabilities for materials modelling with Quantum ESPRESSO, J. Phys.: Condens. Matter 29, 465901 (2017)

    2017

  31. [39]

    J. P. Perdew, K. Burke, and M. Ernzerhof, Generalized Gradient Approximation Made Simple, Phys. Rev. Lett. 77, 3865 (1996)

    1996

  32. [40]

    J. P. Perdew, A. Ruzsinszky, G. I. Csonka, O. A. Vydrov, G. E. Scuseria, L. A. Constantin, X. Zhou, and K. Burke, Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces, Phys. Rev. Lett. 100, 136406 (2008)

    2008

  33. [41]

    P. E. Blö chl, Projector augmented-wave method, Phys. Rev. B 50, 17953 (1994)

    1994

  34. [42]

    Wannier90: A Tool for Obtaining Maximally-Localised Wannier Functions - ScienceDirect, https://www.sciencedirect.com/science/article/abs/pii/S0010465507004936?via%3Dihub

  35. [43]

    Noffsinger, F

    J. Noffsinger, F. Giustino, B. D. Malone, C.-H. Park, S. G. Louie, and M. L. Cohen, EPW: A program for calculating the electron–phonon coupling using maximally localized Wannier functions, Computer Physics Communications 181, 2140 (2010)

    2010

  36. [44]

    Poncé , E

    S. Poncé , E. R. Margine, C. Verdi, and F. Giustino, EPW: Electron–phonon coupling, transport and superconducting properties using maximally localized Wannier functions, Computer Physics Communications 209, 116 (2016)

    2016

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