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

Table 4. Energies (eV) of the Lowest Conduction States of Diamond at High-Symmetry Points of the BZ Referred to the Valence Band Maximum, and Minimum Energy Gap E_g, Obtained Using the SCAN Exchange-Correlation Functional and Various Values of the Parameter a and Plane Wave Energy Cutoff E_cut.

a	E_cut (kRy)	Γ	X	L	W	E_g
2	6	6.146	5.187	9.127	11.331	4.539
3	6	6.147	5.192	9.127	11.332	4.543
4	6	6.147	5.195	9.127	11.333	4.546
2	10	6.146	5.187	9.127	11.331	4.539
3	10	6.147	5.192	9.127	11.332	4.543
4	10	6.147	5.192	9.127	11.332	4.544

Table 4. Energies (eV) of the Lowest Conduction States of Diamond at High-Symmetry Points of the BZ Referred to the Valence Band Maximum, and Minimum Energy Gap Eg, Obtained Using the SCAN Exchange-Correlation Functional and Various Values of the Parameter a and Plane Wave Energy Cutoff Ecut.