The ABINIT Users Mailing List ( CLOSED )

[Xavier Gonze <gonze@pcpm.ucl.ac.be>]

Dear Xin Liu,

Xin Liu wrote:
> Dear all:
> 
> When I tried to compile abinis with intel fortran
> compiler (V7.00.64) and gcc (V3.2) on a P4 2.4G with
> Redhat linux 8.0, I found that the compiling process
> is carried out smoothly, but the result--- the "abinis
> " doesn't work, it can not determine the point group
> of any input tests.

Without an explicit input/output file,
I am not sure of what you mean.

Note, however, that ABINIT will print something like

Symmetries : the space group has not been recognized

in case the explicit list of symmetry operations does not
corresponds to the point group compatible with the
Bravais lattice. This happens in Test_fast #6, 7, 8.
Sometimes, also the user set nsym 1 , while the
real symmetry of the system is higher, and obviously,
ABINIT will print

Symmetries : space group P1 (#  1); Bravais aP (primitive triclinic)

Good continuation,
Xavier Gonze