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- Mon May 11, 2015 11:43 pm
- Forum: Response calculations
- Topic: Long range force (Ewald sum) for finite q [SOLVED]
- Replies: 6
- Views: 9722
Re: Long range force (Ewald sum) for finite q [SOLVED]
Dear Churna, The long-rage behaviour of the IFCs is well-detailled in the Gonze paper of 1997 (Vol. 55, num. 16). I suppose this was the paper you mentioned in your previous message. In short, the dynamical matrix with q->0 is strongly nonanalytical and depends on the direction alongside which you g...