...
Then build VASP as usual. The following lines should be appended to your .INCAR
file to run a BEEF calculation (the last line is optional and triggers the calculation of ensemble energies for error estimation):
Code Block |
---|
INCAR exampleGGA = BF LUSE_VDW = .TRUE. Zab_VDW = -1.8867 LBEEFENS = .TRUE. |