can SIESTA give us I-V characteristic curve for spin polarized molecular
wires?
Dear TranSIESTA users,
I am trying to find spin polarized transmission of a MgO structure sandwiched
between two Fe contacts with TranSIESTA. I need a complete fdf file for both
electrode and scattering region calculations. Any help will be appreciated.
Best wishes, M.Ansarino
Masoud
iterations does not converge, and i
don't know problems in my fdf file.Please help me to modify my scattering fdf
file.
Here are attached the fdf file for bothelectrode and scattering regions.
Any suggestion will be appreciated.
Best Regards,
Masoud Ansarino
SR.fdf
Descri
r[D*S] = 18. 17.90742510
Stopping Program from Node: 0
what is the mean of this error. Any help will be appreciated.The input and
output files are attached.Best regards,-Masoud Ansarino
Nanotechnology group, Physics department, university of Mazandaran
Babolsar, Iran
4lda.fdf
Descri
r[D*S] = 18. 17.90742510
Stopping Program from Node: 0
what is the mean of this error. Any help will be appreciated.The input and
output files are attached.Best regards,-Masoud Ansarino
Nanotechnology group, Physics department, university of Mazandaran
Babolsar, Iran
4ld
this error?Any help will be
really appreciated.Best regards,
Masoud Ansarino
Nanotechnology group, Physics department, university of Mazandaran
Babolsar, Iran
Febulk.fdf
Description: application/vnd.fdf
error
Description: Binary data
out
Description: Binary data
Dear SIESTA users
I'm trying to produce DOS for Zn. But my job stopped with this error:GHOST:
WARNING: Ghost state for L = 0
GHOST: No ghost state for L = 1
GHOST: No ghost state for L = 2
GHOST: No ghost state for L = 3
KBgen: WARNING: Ghost states have been detected
KBgen: WARNING: Some par
