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<p>Hi All,</p>
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<p>I am trying to calculate DOS with spin-orbit coupling using MPI version. The job converged without problem</p>
<p>and created all files. But when I tried to run x tetra, it gave me 'input conversion error'. I checked <span style="font-size: 12pt;">case.qtl files </span></p>
<p><span style="font-size: 12pt;">and have noticed that at the last line for each k-point in each band, it adds a - sign (pointed by arrow below). </span></p>
<p><span style="font-size: 12pt;">I tried removing those - sign manually but that didn't work either. But if I use non-mpi version then there is no </span></p>
<p><span style="font-size: 12pt;">problem. So I think there might be some bug somewhere. I am wondering if anyone else have encountered </span></p>
<p><span style="font-size: 12pt;">this problem. Since I am doing a large supercell calculation, non-mpi </span><span style="font-size: 12pt;">version is very very time consuming. So </span></p>
<p><span style="font-size: 12pt;">it would be very useful for me if this problem is fixed.</span></p>
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<p>case.qtl file:</p>
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<div> 0.00000 0.00000 0.00000 0.00000 0.00000</div>
<div> -2.97340135 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</div>
<div> -2.97340136-0.00000 <------</div>
<div> BAND 7</div>
<div> -2.37449 1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</div>
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<div> -2.37452135 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</div>
<div> -2.37452136-0.00000 <-----</div>
<div> BAND 9</div>
<div> -2.37347 1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</div>
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Thanks,</span></p>
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<span style="font-size: 12pt;">Fhokrul </span></p>
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