Overview > bandgap of Si using different DFT+HF methods > MgO optimum mixing > fcc Ni DOS with hybrid functional > Si bandstructure > List of tutorials...
16 KB (2,157 words) - 14:17, 14 November 2019
NBANDS = 24 Run the hybrid functional calculation and call wannier90 (see LWANNIER90_RUN). . INCAR (see INCAR.hse_with_wannier90) ISMEAR = 0 SIGMA = 0.01 LHFCALC...
7 KB (938 words) - 14:18, 14 November 2019
do not overwrite WAVECAR LCHARG = .FALSE. # do not overwrite CHGCAR LWANNIER90_RUN = .TRUE. # run wannier90 in library mode Use the corresponding wannier90...
14 KB (1,739 words) - 11:41, 8 April 2022
do not overwrite WAVECAR LCHARG = .FALSE. # do not overwrite CHGCAR LWANNIER90_RUN = .TRUE. # run wannier90 in library mode Use the corresponding wannier90...
13 KB (1,631 words) - 15:08, 8 April 2022
