How to calculate Madelung energy?

Queries about input and output files, running specific calculations, etc.


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heyao
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How to calculate Madelung energy?

#1 Post by heyao » Thu Dec 01, 2005 7:08 am

Is it Ewald energy in OUTCAR? Thanks a lot.
Last edited by heyao on Thu Dec 01, 2005 7:08 am, edited 1 time in total.
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admin
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How to calculate Madelung energy?

#2 Post by admin » Thu Dec 01, 2005 3:31 pm

yes, please search for the string "br>
Ewald energy TEWEN =
Last edited by admin on Thu Dec 01, 2005 3:31 pm, edited 1 time in total.
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