[SIESTA-L]

[Z. Liu]

Hi, everybody   Has anyone tried to generate Ce psedopotential and use it successfully in siesta? I met a problem to include the 4f states in the basis set. SIESTA complains the following   </basis_specs> ATOM: Called for Ce  (Z =  58) read_vps: ERROR: You must generate a pseudopotential read_vps: ERROR: for each L up to    4 Stopping Program   The Ce.inp to generate the potential is the following   %define NEW_CC    pe      Ce         tm2      3.0    Ce   car        0.0       0.0       0.0       0.0       0.0       0.0     9    4     5    0      1.00      1.00     5    1      3.00      3.00     5    2      1.00      0.00     4    3      1.00      0.00       1.80      2.10      3.00      1.35      1.00      1.45 Any comment is acknowledged. Thanks Zhipan Liu