<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Youn-Peng: V_local is diagonal in the coordinate representation, that's why it is conveniently calculated in real space (in pw.x, as well as in any sensible modern plane-wave electronic-structure code). SB<div><br><div><div>On Nov 2, 2011, at 11:49 PM, Yun-Peng Wang wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div>Hi,<br><br>I am looking at the pwscf code. When computing H|psi>, the kinetic part <br>and nonlocal part are performed in k-space, however the local part <br>V_local|psi> is performed in real space. I think calculation of local <br>part V_local|psi> in k-space is more convenient if V_local can be <br>transformed into k-space. What is the problem forbidding k-space <br>calculation of V_local|psi> ?<br><br>best wishes,<br>Yun-Peng<br>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>http://www.democritos.it/mailman/listinfo/pw_forum<br></div></blockquote></div><br><div>
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