Uploads by Mani

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Date Name Thumbnail Size Description Versions
11:07, 8 February 2024 Scdm-bands-c-4.pdf (file) 32 KB Band structure of diamond showing the four highest-lying valence states, comparing Wannier interpolation using SCDM against ab-initio data. 1
13:57, 8 February 2024 Scdm-bands-lif-disentangle.png (file) 52 KB Better legend placement 3
09:57, 9 February 2024 Locproj-c-4.png (file) 49 KB Band structure of diamond showing the four highest-lying valence states, comparing Wannier interpolation using LOCPROJ against ab-initio data. 1
10:06, 9 February 2024 Scdm-bands-c-4.png (file) 47 KB remove excessive padding 3
15:03, 23 February 2024 MgO-phonons-LR-comparison.png (file) 92 KB Phonon dispersion relation of MgO comparing calculations with and without long-range corrections. 1
15:03, 23 February 2024 AlN-phonons-LR-comparison.png (file) 99 KB Phonon dispersion relation of AlN (wurtzite) comparing calculations with and without long-range dipole corrections. 1