[Pw_forum] All electron calculation

Tram Bui trambui at u.boisestate.edu
Wed Sep 7 18:45:45 CEST 2011


Dear Everyone,
    * I'm trying to run a quick all electron calculation for Cs. where I
have the input file(cs.in) as below: *
&input
     title='Cs',
     zed=55.0,
     iswitch=1,
     dft='PBE',
     config='[Xe] 6s1 5d0 6p0 '
 /
*then I run bin/pw.x < cs.in > cs.out. I got an error message saying *
"from  read_namelists  : error #         1
reading namelist control"
*what might have been wrong in my code? is pw.x is the right command for all
electron calculation?

*
Thank you very much,
Tram Bui

M.S. Materials Science & Engineering
trambui at u.boisestate.edu
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