[Wien] inversion symmetry in the slab

[Oleg Artamonov]

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 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 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
>> Subject: Re: [Wien] inversion symmetry in the slab
>>
>>
>>> 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
>>>>
>>>>
>>>> _______________________________________________
>>>> Wien mailing list
>>>> Wien at zeus.theochem.tuwien.ac.at
>>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>> -- 
>>>
>>>                                       P.Blaha
>>> --------------------------------------------------------------------------
>>> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
>>> Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
>>> Email: blaha at theochem.tuwien.ac.at    WWW:
>>> http://info.tuwien.ac.at/theochem/
>>> --------------------------------------------------------------------------
>>> _______________________________________________
>>> Wien mailing list
>>> Wien at zeus.theochem.tuwien.ac.at
>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>>
>>
>>
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
> -- 
>
>                                       P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
> Email: blaha at theochem.tuwien.ac.at    WWW: 
> http://info.tuwien.ac.at/theochem/
> --------------------------------------------------------------------------
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>