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. 2023 Feb 9;19(4):1300–1309. doi: 10.1021/acs.jctc.2c01191

Table 5. PBE Eigenvalues of the Lowest Conduction States of Silicon Referred to the Valence Band Maximum, Compared to SG15 Pseudopotential and with the LAPW Results of Reference (36).

  AEPW (this work) SG15 FLAPW36
Γ 2.56 2.56 2.56
X 0.73 0.69 0.71
L 1.59 1.52 1.54
Eg 0.59 0.56 0.47