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<div class="elementToProof">Dear WIEN2k community,</div>
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<div class="elementToProof">I am trying to calculate the "Effective Mass"</div>
<div class="elementToProof">I am doing the example "GaAs" that is in the article;</div>
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Perturbation approach to ab initio effective mass calculations</div>
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Computer Physics Communications 261 (2021) 107648</div>
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In section "2.3. Sample work flow"</div>
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After doing the GaAs.struct file I do the following instructions;</div>
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init_lapw -b -vxc 13 -rkmax 7 -numk 500</div>
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run_lapw -ec 0.00001 -cc 0.0001</div>
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save_lapw -d noSOC</div>
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init_so_lapw</div>
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run_lapw -ec 0.00001 -cc 0.0001 -so</div>
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x lapw1</div>
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x lapwso</div>
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ln -sf GaAs1.vsp GaAs1.vspup</div>
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ln -sf GaAs1.vsp GaAs1.vspdn</div>
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ln -s case.vectorso case.vectorsoup</div>
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cp /home/Programas/WIEN2k/SRC_templates/case.inop GaAs1.inop</div>
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x optic -so -up</div>
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x mstar -up -settol 0.00001<br>
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*** Here I get an error;</div>
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Detected input arguments = 2</div>
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Input mommat file = ./GaAs1.mommat2up</div>
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Degeneracy tolerance dEtol = 0.00001 [Ha]</div>
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Confirming text-to-number conversion dEtol = 1.00000E-05 [Ha]</div>
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The input file ./GaAs1.mommat2up was found.</div>
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number of lines in mommat file = 0</div>
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The file ./GaAs1.mommat2up is too short and most likely useless. Stopping</div>
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0.003u 0.008s 0:00.01 0.0% 0+0k 0+0io 0pf+0w</div>
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Saludos</div>
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Pablo</div>
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