On Tue, Sep 1, 2015 at 4:16 PM, E. H. Smith <[email protected]> wrote:
When I add that line I get the error > > from read_namelists : error # 19 > > reading namelist system > that line is correct. Some compilers may not like two occurrences of the same variable: > occupations='fixed' > > occupations='smearing', smearing='cold', degauss=0.02 > If this is not the reason: you are using an old version of the executable. diagonalization='cg' > don't use this option unless you have a good reason. Paolo -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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