[Pw_forum] Interacting ions

Valentina Cantatore valecantatore at gmail.com
Fri May 30 11:25:10 CEST 2014


Hi everyone,

I'm a fresh new QE espresso user. I write you to ask if there is any way to perform an energy calculation between two interacting ions (CH3NH3+ PbI3-). In particular, how can I specify the charges of my two fragments?

Thank you very much in advance for your answers.

Valentina Cantatore



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