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How to calculate Madelung energy?
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How to calculate Madelung energy?
Posted:
Thu Dec 01, 2005 7:08 am
by
heyao
Is it Ewald energy in OUTCAR? Thanks a lot.
How to calculate Madelung energy?
Posted:
Thu Dec 01, 2005 3:31 pm
by
admin
yes, please search for the string "br>
Ewald energy TEWEN =