<html><head></head><body><div class="yahoo-style-wrap" style="font-family:Helvetica Neue, Helvetica, Arial, sans-serif;font-size:13px;"><div dir="ltr" data-setdir="false"><div><span style="color: rgb(34, 34, 34); font-family: Arial, Helvetica, sans-serif; font-size: small;">Dear Sir/Madam,</span><div style="color: rgb(34, 34, 34); font-family: Arial, Helvetica, sans-serif; font-size: small;"><br></div><div style="color: rgb(34, 34, 34); font-family: Arial, Helvetica, sans-serif; font-size: small;">I am a new user to QE platform. I am trying to study yttria by including vacancy positions at its oxygen sites. My scf convergence is achieved as well as turbo_eels.x is also completed. But when I am trying to run turbo_spectrum.x, it is showing the following error:</div><div style="color: rgb(34, 34, 34); font-family: Arial, Helvetica, sans-serif; font-size: small;"><br></div><div style="color: rgb(34, 34, 34); font-family: Arial, Helvetica, sans-serif; font-size: small;">" Integration in the range from 0.00 to 630.00 eV.<br> The number of valence (and semicore) electrons in the unit cell: 630.40<br> The exact number of electrons: 622.00<br> The violation of the f-sum rule: 1.35 %<br></div><div style="color: rgb(34, 34, 34); font-family: Arial, Helvetica, sans-serif; font-size: small;"><br></div><div style="color: rgb(34, 34, 34); font-family: Arial, Helvetica, sans-serif; font-size: small;">"</div><div style="color: rgb(34, 34, 34); font-family: Arial, Helvetica, sans-serif; font-size: small;"><br></div><div style="color: rgb(34, 34, 34); font-family: Arial, Helvetica, sans-serif; font-size: small;"><br></div><div style="color: rgb(34, 34, 34); font-family: Arial, Helvetica, sans-serif; font-size: small;">Please help me through this. I have gone through 'Comput. Phys. Commun. 196, 460 (2015)' paper. But I am not sure which parameter to change.</div><div style="color: rgb(34, 34, 34); font-family: Arial, Helvetica, sans-serif; font-size: small;"><br></div><div style="color: rgb(34, 34, 34); font-family: Arial, Helvetica, sans-serif; font-size: small;">Regards</div><font color="#888888" style="font-family: Arial, Helvetica, sans-serif; font-size: small;"><div>Akhil G Nair</div><div>Research scholar</div><div>HBNI, INDIA</div></font></div><br></div></div></body></html>