[Pw_forum] Input file for NaCl molecule in Quantum espresso

Saisudhakar sai.strings at gmail.com
Mon Mar 16 12:09:54 CET 2015


Hi,

I am new to Quantum espresso program. I want to calculate the band
structure calculation for NaCl molecule. Please let me know how to generate
input file for it.


Thanking you
Saisudhakar
BITS-Pilani Hyderabad Campus
India-500078
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