Definitely. This has come up a lot of times on the list...
Vous avez écrit / You have written / Lei ha scritto / Você escreveu...
Alexandre Lebon
Quoting Marcos Verissimo Alves [EMAIL PROTECTED]:
Recompile with the flag -DWXML_INIT_FIX in the DEFS entry of the
arch.make.
Marcos
It works
Reza,
Thank you for your response but I think I have figured out how to visualize the
data I need. It sounds as though you are experienced with XCrysden. Would you
mind if I asked you another question. Is there a rule of thumb for choosing a
value for the isosurface?
If this is not clear, I
This is a format overflow in the pdos.f ... i had the same problem
here and I've checked that the format controlling this line is I1
instead I2 ... so every time that the program try to write -
somenumber a format overflow happens.
On Jan 16, 2008 2:48 PM, Alexandre Lebon [EMAIL PROTECTED]
Dear Siesta users,
I noticed a problem in the output of siesta2.0.1 wrt to siesta1.3 concerning
the .PDOS files
With version 1.3
orbital
index=6
atom_index=1
species=O
position= 0.00 -0.000286 0.00
n=2
l=
On Wed, 3 Aug 2005 02:21:28 +0900, Min Seung Kyu [EMAIL PROTECTED] wrote:
Dear SIESTA users,
I generated a pseudopotential for S like following
=
#2345678901234567890123456789012345
pe S Pseudopotential
tm2
S car
0.0 0.0 0.0
3
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