Dear Wien2k users,
I am calculating a 7-layer slab of W(110). What is the best way to remove
the inversion symmetry from my structure?
Thank you,
Oleg Artamonov
://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20081003/911318de/attachment.html
Yes! Thank you very much!
Before 'ANG' there must be two blanks.
Best regards,
Long-Hua Li
-- next part --
An HTML attachment was scrubbed...
URL:
http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20081003/c3311cf5/attachment.html
Why would you like to do that ?
All the results should be identical.
Oleg Artamonov schrieb:
Dear Wien2k users,
I am calculating a 7-layer slab of W(110). What is the best way to remove
the inversion symmetry from my structure?
Thank you,
Oleg Artamonov
Dear Peter Blaha,
I expect to find the spin-splitting due to spin-orbit interaction (Rashba
effect). Oleg.
- Original Message -
From: Peter Blaha pbl...@theochem.tuwien.ac.at
To: A Mailing list for WIEN2k users wien at zeus.theochem.tuwien.ac.at
Sent: Friday, October 03, 2008 3:52 PM
As discussed before on this list, you don't need to break inversion for
that purpose.
Oleg Artamonov schrieb:
Dear Peter Blaha,
I expect to find the spin-splitting due to spin-orbit interaction (Rashba
effect). Oleg.
- Original Message -
From: Peter Blaha pblaha at
Dear Peter Blaha,
May I ask you to give comments?
In the book The theory of Brillouns zones ..., by H. Jones in the last
paragraph is declared: there is two fold degeneracy in the arbitrary k-point
in the case of inverse symmetry. Oleg.
As discussed before on this list, you don't need to
Dear Wien2k users:
I have a question regarding the A_lm, B_lm and C_lm coefficients to obatin
the wavefunction, I already have this coefficients for the case of
Ba8Ga16Ge30 in this case there are 708 electrons and the fermi energy is
at the edge of the valence band, then the electrons occupy all
8 matches
Mail list logo
