[Pw_forum] problem with creating the pseudopotential of Zn

[Lorenzo Paulatto]

In data 23 luglio 2011 alle ore 10:45:13, Robin H <robinshy at gmail.com> ha
scritto:
>      from ld1_readin : error #         1
>      only one local channel

   From atomic_doc/INPUT_LD1.txt

      Variable:       lloc

      Type:           INTEGER
      Default:        -1
      Description:    Angular momentum of the local channel.
              * lloc=-1 or lloc=-2 pseudizes the all-electron potential
                if lloc=-2 the original recipe of Troullier-Martins
                is used (izero first and second derivatives at r=0)
              * lloc>-1 uses the corresponding channel as local PP
              NB: if lloc>-1, the corresponding channel must be the last in  
the
              list of wavefunctions appearing after the namelist &inputp
              In the relativistic case, if lloc > 0 both the j=lloc-1/2 and
              the j=lloc+1/2 wavefunctions must be at the end of the list.

best regards

-- 
Lorenzo Paulatto IdR @ IMPMC/UPMC CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
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