[Pw_forum] an error with do_ee

Chenghua Sun c.sun1 at uq.edu.au
Fri Feb 4 23:23:10 CET 2011


Dear All,
 
Recently I tried to do the Makov-Payne correction on a charged system. I set:
       do_ee = .true.
In the &SYSTEM section, and I also set: 
       which_compensation = 'dcc',
in &EE.
 
But I got the error message:
    from  read_namelists  : error #        19
    reading namelist system

The version is 4.0.5.
 
If I delete the setting 'do_ee = .true.', it works well, but without the Makov-Payne correction.
 
Could you help me and give me some ideas? Thanks in advance.
 
Coy
 
 
 
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