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<p>Hi Wien2k users,</p>
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<p>I am trying to do TiC calculation as mentioned in the userguide with Wien2k compiled with gfortran.</p>
<p>It works fine without spin-orbit (SO) coupling but if I add SO it crashes in the 1st cycle with 'mixer error'.</p>
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<p><span>error: command /bionano2/Wien2k14.2/mixer mixer.def failed</span> </p>
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<p>There is no other error message or error file. <span style="font-size: 12pt;">However, if I do the same TiC calculation in another </span></p>
<p><span style="font-size: 12pt;">machine with an intel compiled Wien2k, this problem </span><span style="font-size: 12pt;">does not arise. S</span><span style="font-size: 12pt;">o I am not sure </span><span style="font-size: 12pt;">why there </span></p>
<p><span style="font-size: 12pt;">is a mixer error with gfortran for TiC when I do spin-orbit calculation. </span></p>
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<span style="font-size: 12pt;">I tried another test </span><span style="font-size: 12pt;">calculation with </span><span style="font-size: 12pt;">GaAs but this one </span><span style="font-size: 12pt;">works fine with gfortran. </span></p>
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<span style="font-size: 12pt;">Any suggestion will be appreciated.</span></p>
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<span style="font-size: 12pt;">Thanks,</span></p>
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<span style="font-size: 12pt;">Fhokrul</span></p>
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