<div dir="ltr"><div><span><span class="gmail-Linkify">Dear Sir/mam</span></span></div><div><span><span class="gmail-Linkify">I would like to use the quantum espresso package
for calculating the NBO charge for graphene. Can somebody kindly guide me in this regard?</span></span></div><div><span><span class="gmail-Linkify">I have optimized the graphene structure and I have also done the scf calculation, but i don't know how to calculate NBO charge by quantum espresso? Please help me in this regard.</span></span></div><div><span><span class="gmail-Linkify"> <br></span></span></div><div><span><span class="gmail-Linkify">Thank you in advance</span></span></div><div><span><span class="gmail-Linkify"><br></span></span></div><div><span><span class="gmail-Linkify">Regards</span></span></div><div><span><span class="gmail-Linkify">Nirmal Barman<br></span></span></div></div>