The ABINIT Users Mailing List ( CLOSED )

[Maohua Du <maohua76@yahoo.com>]

Dear All,

I am a new user of ABINIT. I want to use aim.f to do
charge analysis for some of my old results from VASP.
I wrote a code to convert VASP density file to ABINIT
density file (ABINIT 3.4.3, Header form = 34). The
generated ABINIT density file can be used by cut3d to
plot density countour. I ran aim and got right charge
for Cu (a simple test with one Cu atom in unit cell).
Then I ran aim for O2 molecule, but got fragmentation
fault. 

The converted density file seems ok because Cu's
density file works for aim. Both Cu and O2's density
files work for cut3d. The only relevent data for
charge analysis in the header of density file should
be just atomic positions and size of the unit cell.
They are all corrected read by aim.

Can anyone give me some hints of using aim? What
issues do I need to pay attention? Does a lot of
memory needed for running aim?

Thank you,

Maohua


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