[Wien] Query from your JPCM paper

Gavin Abo gsabo at crimson.ua.edu
Wed Dec 19 22:16:24 CET 2012


The paper at this link has an Eq. 4 for Ewald energy: 
http://dx.doi.org/10.1088/0953-8984/8/7/006

On 12/18/2012 11:38 PM, Peter Blaha wrote:
> I don't know which paper you mean.
>
> I'm not going to check all my papers for an equ.4 .....
>
> Am 19.12.2012 05:11, schrieb Jyoti:
>> Dear Prof. Blaha,
>>
>> I have a small question: in your paper in journal of 
>> physics:Condensed Matter , you have given a formula for calculation 
>> of Ewald Energy (Equation 4). For this, how do you
>> choose Rmt with respect to Rws. Do you choose Rmt ~ Rws , for this.
>> If you have any reference to suggest for this, that also is ok. Thank 
>> you very much for your time and kind attention, Prof. Blaha.
>>
>>
>> Thanks,
>> Jyoti



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