<div dir="ltr"><div>I am trying a B3LYP calculation. </div><div>I have followed steps as given in manual (p 52 of manual@2018). </div><div>1. XC_B3LYP in case.in0</div><div>2. EX_SLDA and VX_SLDA in case.in0_grr</div><div>3. selected unscreened and alpha 0.2 in case.inhf</div><div>and then running command run_lapw -hf</div> <div>But error is coming as follow. What's the solution?<div><br></div><div> LAPW0 END<br> LAPW0 END<br><b>cp: cannot stat âTadop_neut_relax_PBE_K100.kgen_ibzâ: No such file or directory<br>cp: cannot stat âTadop_neut_relax_PBE_K100.klist_ibzâ: No such file or directory</b><br> LAPW1 END<br> LAPW2 END<br> CORE END<br>OPEN FAILED<br>> stop error<br><div><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div><i><br></i></div><div><i>Best Regards,</i><br></div><div dir="ltr"><i><br>Santanu Pathak</i><div><i>Senior Research Fellow</i></div><div><i>Variable Energy Cyclotron Centre</i></div><div><i>1/AF Bidhan Nagar, Kolkata-700064, India<br></i></div><div><i>Phone no.: 033-2318-4167 / </i><i><span><i>09163419475</i></span></i></div><div><i> <br><br></i></div></div></div></div></div></div></div></div></div><br><div id="mt-signature">
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