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<div><span></span>Dear developers,</div><div> Just ask some trival questions. </div><div>(1)Do the elements of array for total local potential (variable <b>vrs</b>) or charge density (variable <span style="background-color: rgb(255, 255, 255);"><b>rho</b></span>) in real space keep the same order in different calculation when the volume and shape of supercell remain unchanged?</div><div>(2) If do, does the element in array <b>vrs</b>(nr1*nr2*(n3-1)+nr1*(n2-1)+n1) represent the position [x(n1), y(n2),z(n3)] in real space?</div><div>(3) Is it correct that \sum_i {<b>rho</b>(i)}*volume/N is not exactly equal to the total charge? N is the size of array <b>rho</b>.</div><div>(4)What's the difference between variables <b>nr1</b> and <b>nr1x</b>?</div>
<div><br></div><div>Thank you for your consideration!</div><div><br></div><div>Best regards!</div><div>Jiqiang Li</div><hr style="width: 210px; height: 1px; display: none;" color="#b5c4df" size="1" align="left">
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