[Wien] Query from your JPCM paper

Jyoti ms.jdani at rediffmail.com
Wed Dec 19 05:11:29 CET 2012


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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