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Volumn 74, Issue 18, 2006, Pages

Pressure-induced enhancement of electron-phonon coupling in superconducting Ca C6 from first principles

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EID: 33750985947     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.74.184519     Document Type: Article
Times cited : (32)

References (43)
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    • in these calculations, the GGA exchange-correlation functional and ultrasoft pseudopotentials are employed. Convergence tests give the kinetic energy cutoffs for wave functions and charge density as 30 and 800 Ry, respectively. We sample the BZ using 8×8×8 uniform Monkhorst-Pack grid and a Methfessel-Paxton first-order smearing of 0.05 Ry. In the phonon calculation, a 4×4×4 q mesh in the first BZ was used in the interpolation of the force constants.
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