<div dir="ltr"><img width="0" height="0" class="mailtrack-img" style="float:right;" alt="" src="https://mailtrack.io/trace/mail/e43a020c04b440a12457ab770aa4ed57adeff016.png?u=940065"><div>Dear Gavin,</div><div>                    I am able to generate the case.rho_onedim file. But, potential profile doesn't look like the expected "xy average of electrostatic potential along [001]" which I intended to calculate. I am pretty sure in this regard because several literatures show the overall similar potential profile for different hererostructures which I didn't get.</div><div><br></div><div>If my understanding was wrong, please correct me and give some suggestions how calculate  "xy average of electrostatic potential along [001] " using wien2k.</div><div><br></div><div><br></div><br clear="all"><div><div class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div><div dir="ltr"><div>best wishes<br><br></div>S. Samanta</div></div><div><p style="margin-bottom:0.0001pt;line-height:normal;background-image:initial;background-position:initial;background-repeat:initial">
        
        
        


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