[Pw_forum] from invmat : error #1 singular matrix
Lorenzo Paulatto
paulatto at sissa.it
Mon Nov 30 10:24:23 CET 2009
Replying to message "Re: [Pw_forum] from invmat : error #1 singular
matrix" from Paolo Giannozzi (30/11/09):
> - specify lattice vectors and lattice parameter (ibrav=0 +
> celldm(1), or else a + CELL card); the lattice vectors are
> in units of the lattice parameter
Oh, yes, I'm sorry. I missed the CELL card at the end of the input and
assumed it was not specified. Well, so I'm at loss on the possible cause
of the problem...
cheers
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Lorenzo Paulatto
SISSA & DEMOCRITOS (Trieste)
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