Hi Edan
Thanks for your help
Javad
On Tue, 21 Oct 2008, Edan Scriven wrote:
Javad,
The code is converting your lattice vectors from Angstroms to Bohrs (watch
out for this with things like nuclear positions too). I don't know what's
going on with your recompiled grid2cube problem, but on
Dear SIESTA users,
Hello and good day!
I am trying to get the isosurface of a nanotube usind grid2cube tool and
LDOS.
The problem is that I am getting wrong values for my unit-cell vectors
like
75.58907511097422 0.000 0.000
0.000
Javad,
The code is converting your lattice vectors from Angstroms to Bohrs (watch
out for this with things like nuclear positions too). I don't know what's
going on with your recompiled grid2cube problem, but on the plus side you
can ignore it and go back to the older build that gave you the
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