[Wien] Potential in a interstitial

[Oleg Rubel]

Hi Oleg,

this issue has been addressed several times in the mail-list. Please, search for "reference energy".

Oleg

>>> On 8/6/2010 at 6:02 AM, in message <446971281088956 at web122.yandex.ru>,
Artamonov Oleg <artaoleg at yandex.ru> wrote:
> Hi Oleg,
> 
> thanks for reply. I am interested in a Coulomb potential in the energy units 
> in the interstitial region, strictly speaking.in the region "between" atomic 
> potentials. It is easy to see (using lapw5) that the potential is not zero 
> and its average  value should depend on the structure (solid, surface). It 
> seems to me I need to calculate it "by hand". Oleg.
> 
> 
> 
> 06.08.10, 08:23, "Oleg Rubel" <rubelo at tbh.net>:
> 
>> Hi Oleg,
>>  
>>  are you talking about ? If yes, then it is 0. (Strictly speaking 0 is its 
> Fourier coefficient at k = 0.)
>>  
>>  I hope this will help.
>>  
>>  Oleg
>>  
>>  --
>>  Oleg Rubel, PhD
>>  Scientist, Thunder Bay Regional Research Institute
>>  Adjunct Professor, Dept Physics, Lakehead University
>>  290 Munro St, Thunder Bay, P7A 7T1, Ontario, Canada
>>  Phone: +1-807-7663350
>>  Fax: +1-807-3441948
>>  E-mail: rubelo at tbh.net 
>>  Homepage: http://www.tbrri.com/~orubel/ 
>>  >>> Artamonov Oleg  08/02/10 8:24 AM >>>
>>  Dear Wien2k users,
>>  
>>  Can anybody prompt me what subroutine in the lapw0 produces an average 
> potential in the interstitial region.
>>  Thanks in advance,
>>  Oleg Artamonov.
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