<div dir="ltr"><div><span><span>Dear Sir/mam</span></span></div><div><span><span>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>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>Thank you in advance</span></span></div><div><span><span><br></span></span></div><div><span><span>Regards</span></span></div><div><span><span>Nirmal Barman<br></span></span></div></div>