<html><head><meta http-equiv="Content-Type" content="text/html charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">Dear Quantum Espresso developers,<div class=""><br class=""></div><div class="">thanks a lot for releasing Quantum Espresso 6.2. </div><div class=""><br class=""></div><div class="">I was using it for some meta-GGA (tb09 functional) calculations. The self-consistent and non-self-consistent parts worked out very nicely. However, when I used pw2bgw.x to print out the G-space wavefunctions for all k-points that I calculated in the non-self-consistent run, it crashed with the following error.</div><div class=""><br class=""></div><span class=""> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br class=""> Error in routine write_wfng (1):<br class=""> igwx ngk_g<br class=""> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br class=""></span><div class=""><div class=""><br class="webkit-block-placeholder"></div><div class="">This error remains for normal PBE and LDA calculations. I noticed that the output data structure in the 6.2 version is a bit different from the previous ones. Is it because the corresponding reading routine in pw2bgw.x has not yet be updated yet?</div><div class=""><br class=""></div><div class="">Could you please give some hints with solving this issue? Thank you very much in advance.</div><div class=""><br class=""></div><div class="">Best regards,</div><div class=""><br class=""></div><div class="">Xie</div><div class=""><br class=""></div><div class="">
<div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 14px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px;">---<br class="">Xie Zhang<br class=""><br class="">Postdoctoral researcher<br class="">Computational Materials Group<br class="">Materials Department<br class="">University of California<br class="">Santa Barbara, CA 93106-5050<br class="">USA<br class="">Email: <a href="mailto:x.zhang@engineering.ucsb.edu" class="">x.zhang@engineering.ucsb.edu</a></div>
</div>
<br class=""></div></body></html>