!Calculates the V t2g Wannier projectors, Wannier charge and Wannier DOS of SrVO3 !Example by Alyn D. N. James tasks TASK ngridk 12 12 12 sppath '../../../species/' rgkmax 7.0 avec 7.260500000 0.000000000 0.000000000 0.000000000 7.260500000 0.000000000 0.000000000 0.000000000 7.260500000 atoms 3 : nspecies 'Sr.in' : spfname 1 : natoms; atposl, bfcmt below 0.50000000 0.50000000 0.50000000 0.00000000 0.00000000 0.00000000 'V.in' : spfname 1 : natoms; atposl, bfcmt below 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 'O.in' : spfname 3 : natoms; atposl, bfcmt below 0.50000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.50000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.50000000 0.00000000 0.00000000 0.00000000 wanproj !projector flag 1 !number of projectors - next 3 lines are repeated for each projector 2 2 3 !species, l, reduced max lm (rlmmax) value 7 8 9 !the lm quanties which will be projected (vector length eq. rlmmax) -0.055 0.07 ![-1.5, 1.9] eV t2g correlated energy window