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Dear Wien2k experts,</div>
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the SCF lapw1 step gives me error "STOP SPHBES - Error" for my system - small Quartz slab with LvO2 on top of it. No symmetry, z lattice coordinate is the z-vacuum distance. Bottom Si atoms are H-passivated.<br>
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The corresponding output file, LvO2onQg.output1 , shows this warning:<br>
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"WARNING: FOR X = 19.5239 BESSH WANTS TO START AT N= 99"</div>
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I checked the structure, RMT's are fine (I had to increase Si RMS to 1.80 to prevent the charge leakage), GMAX=40, kpoints=1000.</div>
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Files are here, <a href="https://drive.google.com/drive/folders/1Yiu-0vdSDgxNe0T2-0lQbEhJ2K79oHwe?usp=sharing" id="LPlnkOWA9afe79d9-bd81-465f-cc1e-48c58bef6b74" class="OWAAutoLink" style="pointer-events: auto;" contenteditable="true">
https://drive.google.com/drive/folders/1Yiu-0vdSDgxNe0T2-0lQbEhJ2K79oHwe?usp=sharing</a>
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What can be wrong with the input ? Should I change some parameter?<br>
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Best,</div>
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Miro<br>
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