Hello Sarah and Oleksandr,
Actually, the problem is that siesta is writing ' * ' instead of any
negative value of the m quantum number (replacing * for -1 doesn't
work, because * might mean also -2 or -3). You can either replace by
hand every * for its real value (-1, -2, ...) in the .PDOS or add
Hi All;
when IĀ running some insulatorĀ structure, some fractional occupation
happens.how to avoid the fracitonal occupation ? Thanks
Hello Oleksandr and Pablo,
Pablo, I wanted to calculate the PDOs over whole ranges of "m" therefore, I
suppose that replacing "*" with -1 does not affect the result. If it is
otherwise please let me know.
What I am concerned about is that I have problem compiling the utilities
with gfortran, for
I'm using g95 in my computer, and the definition
DEF = -DWXML_INIT_FIX
in the arch.make fixes the problem, I can compile the pdosxml utility,
and the .PDOS file resulting after the simulation doesn't have any *
so you can also use fmpdos.
Does this solution work for you?
Pablo
On Mon, May 4,
Hi,
It is amazing that g95 also does not work for me and gives out errors as I
mentioned in the first email.
Now that I am using fmpdos, from Dr. Postnikov's tools, I'll try "DEF =
-DWXML_INIT_FIX
" to see if I can get rid of *s.
Regards,
Hi,
just out of curiosity, how long does it take to approve a new account? Or is
the process of sending the paper version still in effect, as opposed to the
email based registration?
thanks
Jonas Baltrusaitis
University of Iowa
Hello, I have the same problem. I registered one week ago and I still
have no confirmation!?
Ciao
Iris
Zitat von N H :
Hi people
I've sent my subscription on friday and have not received any confirmation
or refutation up till now. can anyone help me?
Cheers
Ney
2009/4/30 Padilha
Dear
Hello, I have the same problem. I registered one week ago and I still
have no confirmation!?
Ciao
Iris
Zitat von N H :
Hi people
I've sent my subscription on friday and have not received any confirmation
or refutation up till now. can anyone help me?
Cheers
Ney
2009/4/30 Padilha
Dear
Hi people
I've sent my subscription on friday and have not received any confirmation
or refutation up till now. can anyone help me?
Cheers
Ney
2009/4/30 Padilha
> Dear Jose A.
>
> I would like to know if this version 3.0 of the siesta code will have the
> implementation of the multigrid
> me
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