<div dir="ltr"> In an calculation with PBE xc, energy values are coming without any warning and the error files are generating but are completely empty. Whereas band structure calculation is being interrupted due to lapw1 error, shown in follow. <div><pre style="font-family:Courier,fixed;color:rgb(0,0,0);font-size:medium;background-color:rgb(240,240,240)">LAPW1 - Error
0.140u 0.015s 0:00.15 100.0% 0+0k 0+5136io 0pf+0w
</pre><div><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div><div>1. Why these empty error files are generated at all?</div><div>2. How can band structure be calculated in this case? </div><div><br>Thank you.</div></div><div><i><br></i></div><div><i>Best Regards,</i></div><div dir="ltr"><i>Santanu </i></div></div></div></div></div></div></div></div></div></div></div></div></div></div><br><div id="mt-signature">
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<span style="color:transparent;font-size:0">12/09/19, 07:31:51 PM</span>
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