<div dir="ltr"><img width="0" height="0" class="mailtrack-img" alt="" style="display:flex" src="https://mailtrack.io/trace/mail/4606f15352da2a39ed1a7d0cf09aec03b287cfe6.png?u=3834765"><div dir="ltr">Hello experts, i've been calculating MAE (Magnetic Anisotropy Energy) with energy difference of [111] and [11-2] direction with SOC calculation. Without U+ effect the MAE is found nicely, but with inclusion of -orb tag the [111] direction is running normally but [11-2] direction is constantly crashing in LAPWDM. Last line of .dayfile follows:<br><br><div>>   lapwdm -up -p -c -so        (10:34:32) running LAPWDM in parallel mode</div><div>**  LAPWDM crashed!</div><div>error: command   /home/tuvshin/WIEN2k/lapwdmcpara -up -c -so uplapwdm.def   failed</div><div><br></div><div>>   stop error</div><div><br></div><div>Every input file (expect magnetization direction) is same between [111] which finishes normally and [11-2] which constantly crashing. Any tips on how to make it running?</div><br><br><br></div><br><div class="mt-signature">
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                    <span style="color:transparent;font-size:0">05/10/19, 11:01:38 AM</span>
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