[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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