[Pw_forum] Hi, how to generate the pseudopotentials of I element?

[yupiaofei(SDU)]

for example, i want to generate the pseudopotentials of I elements? What should i do?

This is USPP of I used in CASTEP.  Can we obtain some help from these datas?

 Ultrasoft potential generated using the setting
suggested by Prof. Lee group (I_sml_01).

    ============================================================
    |  pseudopotential report: version  7.2.1 date  6-11-1998  |
    ------------------------------------------------------------
    |  I                         ceperley-alder exchange-corr  |
    |  z =  53.    zv =   7.    exfact =    .00000             |
    |                            etot  = -23.02217             |
    |  index    orbital      occupation    energy              |
    |    1        500           2.00       -1.30               |
    |    2        510           5.00        -.53               |
    |  keyps = 3     ifpcor = 0                                |
    |  rinner =      1.60     for L=    1                      |
    |  rinner =      1.60     for L=    2                      |
    |  rinner =      1.60     for L=    3                      |
    |    new generation scheme:                                |
    |    nbeta =  4     kkbeta =  645     rcloc =    2.0000    |
    |    ibeta    l     epsilon   rcut                         |
    |      1       0      -1.30   2.00                         |
    |      2       0        .00   2.00                         |
    |      3       1       -.53   2.00                         |
    |      4       1        .00   2.00                         |
    |  lloc   = 2  eloc   =    .000                            |
    |  ifqopt = 3  nqf    = 8  qtryc =  10.000                 |
    |  all electron calculation used koelling-harmon equation  |
    |         ************logarithmic mesh************         |
    ============================================================

                          Convergence test
                          ----------------
I2 dimer, orthorombic cell, a=6.05, b=5.95, c=6.00 Angstrom, LDA
Fractional coordinates: 
(0.71102   0.72156   0.71658) and (0.44630   0.45485   0.44986)

=============================================================
Ecut           Etot       dE            Force on atom 1
(eV)           (eV)    (eV/atom)            (eV/A)
-------------------------------------------------------------
150 (COARSE)  -628.946   0.225   -0.82947  -0.98877  -0.42398
175 (MEDIUM)  -628.985   0.206   -0.69620  -0.68307  -0.60302
200           -629.167   0.115   -0.72123  -0.71046  -0.62692
210 (FINE)    -629.231   0.083   -1.11127  -0.71342  -0.63400
230           -629.325   0.036   -0.92169  -0.94618  -1.05568
240 (PRECISE) -629.348   0.024   -0.95878  -0.89582  -0.93315
280           -629.376   0.010   -0.95180  -0.90413  -0.92772
320           -629.383   0.006   -0.95300  -0.90585  -0.92960
400           -629.395   0.001   -0.96039  -0.92010  -0.95487
450           -629.395   0.000   -0.96071  -0.92041  -0.95521
800           -629.396           -0.94534  -0.90747  -0.92607
=============================================================