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<p>No, you do not need to do the full scf. Either one cycle
run(sp)_lapw -i 1 ... or running "x lapw1" after the change with
"x kgen" should suffice as mentioned before:<br>
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<p><a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg04261.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg04261.html</a><br>
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<p>Also, I suggest searching the BoltzTraP2 google group:<br>
</p>
<p><br>
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<p><a class="moz-txt-link-freetext" href="https://www.imc.tuwien.ac.at/forschungsbereich_theoretische_chemie/forschungsgruppen/prof_dr_gkh_madsen_theoretical_materials_chemistry/boltztrap2/">https://www.imc.tuwien.ac.at/forschungsbereich_theoretische_chemie/forschungsgruppen/prof_dr_gkh_madsen_theoretical_materials_chemistry/boltztrap2/</a></p>
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<p>I forget, but BoltzTraP2 I think has a -m or bins option that may
achieve the same thing.<br>
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<p><br>
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<div class="moz-cite-prefix">On 1/5/2019 7:24 AM, AJAY SINGH VERMA
wrote:<br>
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<span>Dear sir, <br>
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<div>If i want to calculate thermoelectric property using
boltzTrap then large K mesh is required(as per the user guide
of BoltzTrap). Sir i want to ask is it necessary to redo the
complete SCF cycle again with large k mesh?
<br>
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<span>If no , then what procedure i have to follow for this
calculations. </span></div>
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Thanks <br>
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font-size: 12pt; color: rgb(0, 0, 0);">
Ajay Singh Verma<br>
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