[SIESTA-L] Ge pseudopotential

[Sergey Lisenkov]

Dear Siesta users,   I tried to generate Ge pseudopotential. From TM-code I found an example of Ge pseudo:      pe      Germanium     PRB 52 13283 (1995)    Ecut ~ 16Ry   l=0,1 (maybe 2) as local          tm2  n=Ge c=car        0.0       0.0       0.0       0.0       0.0       0.0     6    3     4    0     2.00      0.00     4    1     2.00      0.00     4    2     0.00      0.00    2.68     2.68     2.68                                                       I generate a Ge.psf and Ge.vps. But I got an error with using this pseudo:   .... initatom: Reading input for the pseudopotentials and atomic orbitals ----------  Species number:            1  Label: Ge Atomic number:          32 Ground state valence configuration:   4s02  4p02 Reading pseudopotential information in formatted form from Ge.psf For Ge, standard SIESTA heuristics set lmxkb to 3  (one more than the basis l, including polarization orbitals). Use PS.lmax or PS.KBprojectors blocks to override.   <basis_specs> =============================================================================== Ge                   Z=  32    Mass=  72.610        Charge=  0.0000    Lmxo=1 Lmxkb=3     BasisType=split      Semic=F L=0  Nsemic=0  Cnfigmx=4           n=1  nzeta=2  polorb=0                vcte:    0.0000                   rinn:    0.0000                    rcs:    0.0000      0.0000                lambdas:    1.0000      1.0000    L=1  Nsemic=0  Cnfigmx=4           n=1  nzeta=2  polorb=1                vcte:    0.0000                   rinn:    0.0000                    rcs:    0.0000      0.0000                lambdas:    1.0000      1.0000    ------------------------------------------------------------------------------- L=0  Nkbl=1  erefs: 0.17977+309 L=1  Nkbl=1  erefs: 0.17977+309 L=2  Nkbl=1  erefs: 0.17977+309 L=3  Nkbl=1  erefs: 0.17977+309 =============================================================================== </basis_specs>   atom: Called for Ge  (Z =  32) read_vps: ERROR: You must generate a pseudopotential read_vps: ERROR: for each L up to    3 Stopping Program What is wrong? Could please anybody send me a "working" Ge pseudo?   Thanks, Best wishes, Sergey