Hi Andrey,
well the answer is nothing is produced.
According NMAX I based my choice about the suggestions I found in the
mailing list.
Thanks in advance!
Best,
G
On Tue, 9 Nov 2010, Andrey N. Sobolev wrote:
Hi Giacomo,
And what's the output of the command
cat anat.PDOS | grep "atom_index=\" 456\"" -B1 -A6
?
NMAX, by the way, is the dimension of DOS array, so it should be not
less than the 4th parameter in the ProjectedDensityOfStates block. I
guess, you do not need it to be this large.
Regards,
Andrey.
ÿÿ Tue, 9 Nov 2010 03:16:56 +0100 (CET)
Giacomo Giorgi <[email protected]> ÿÿÿÿÿÿÿÿÿÿ:
Hi Marcos
[giac...@hadrianus pdosxml]$ head -n 4 anat.PDOS
<pdos>
<nspin>1</nspin>
<norbitals>7376</norbitals>
<energy_values units="eV">
....any idea?
Best!
G
On Mon, 8 Nov 2010, Marcos Veríssimo Alves wrote:
Giacomo,
What do you see when you issue the command
head -n 4 file.PDOS
replacing file by the appropriate filename?
Marcos
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