<br>Dear Mr. Sclauzero and all,<br> It seems nice to me. But in the example 1 ,(in the <b>Complex band structures and ballistic conductance</b> in the hands-on tutorial of quantum espresso), the pwcond.x comes first, then they gave the nscf script , and then ran the pw.x and bands.x in following steps.<br>
Is that making any difference from what you said? <br> Thanks.<br><br>Chengyu Yang<br>Materials Science,University of Central Florida<br><br><br>