[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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