<div>Dear All,</div>
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<div>I am confusing about kpoints' setting in pw calculations. I ever read Doc/INPUT_PW and related refs. There are several kpoints schemes in pw : 'automatic' ,'crystal','tippa','gamma' . </div>
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<div>For crystal case, we can specify the number of kpoints to sample BZ. Then , what i wana know is whether the kpoints list for pw.x calculate is the same as the kpoints list specified in input ?</div>
<div>Does it ever consider system's symmtery in calculation ? I have perfomed a calculation of anatase TiO2 with 64 specified kpoints, but the output indicated that there are 164 kpoints actually for BZ sampling in the calculation .
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<div>Would you please give me some comments ? Thanks .</div>
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<div>Regards,</div>
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<div>-- <br>Hai-Ping Lan <br>Department of Electronics , <br>Peking University , Bejing, 100871 </div>