hello sir,
But sir, after running the siesta command, in *.out file it is written that,
there are spin-orbit pseudopotentials are available
the spin-orbit interaction is not included in calculation.
I want to use this option for the calculation for SmS and TmSe
kindly help in this matter plz.
Riccardo Rurali <[EMAIL PROTECTED]> wrote: Hello Bipul.
I am afraid the answer is pretty simple :-(
It is not possible: this feature has not been
implemented in any officially distrbuted version
of Siesta.
Riccardo
En/na bipul rakshit ha escrit:
> hello siesta users,
> Please tell me that how to calculate the spin-orbit interaction.
> i.e. what option in *.fdf file is used to calculate the spin-orbit
> interaction.
>
> with regards
>
> ------------------------------------------------------------------------
> Find out what India is talking about on - Yahoo! Answers India
>
> Send FREE SMS to your friend's mobile from Yahoo! Messenger Version 8.
> Get it NOW
>
>
--
Riccardo Rurali
Escola Tècnica Superior d'Enginyeria (ETSE)
Universitat Autònoma de Barcelona (UAB)
Campus de la UAB
08193 Bellaterra (Barcelona)
Spain
tel.: +34 93 581 3531
fax.: +34 93 581 2600
e-mail: [EMAIL PROTECTED]
---------------------------------
Find out what India is talking about on - Yahoo! Answers India
Send FREE SMS to your friend's mobile from Yahoo! Messenger Version 8. Get it
NOW
