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<P DIR=LTR><SPAN LANG="en-us"><FONT FACE="Calibri">I</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">’</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">m a frequent user of Andrea Banassi</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">’</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">s epsilon.x. However, the present version of the code addresses only</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">epsilon(0, omega), whereas I need for a current project something</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">like epsilon(q, omega + i eta). I</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">’</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">m in the process of recoding epsi</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">lon.f90 to</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">accommodate</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri"> q>0, but have noticed that the formalism</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri"> (</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">i.e.</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri"></FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">“</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">algebra</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">”</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">)</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri"> is</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri"> contained in Banassi</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">’</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">s thesis. So, has this recoding already been done by</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">someone</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">?</FONT></SPAN><SPAN LANG="en-us"></SPAN></P>
<P DIR=LTR><SPAN LANG="en-us"><FONT FACE="Calibri">Footnote</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">…</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">when the eigenstates of</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">a particular system are</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">“</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">localized,</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">”</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri"> e.g.,</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">a PWscf calculation of a</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">“</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">monolayer</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">”</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri"> where the</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">3D</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">plane wave representation includes a large-real-space</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">“</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">unit cell</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">”</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri"> in the</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">“</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">perpendicular</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">”</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri"> direction, my</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">naïve</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri"></FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">assumption is that some sort of modification to epsilon according to</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri"> Clausius-Mossot</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">t is in order</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">…</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">have others in the PWscf community</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">encountered</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri"> this issue?</FONT></SPAN><SPAN LANG="en-us"></SPAN></P>
<P DIR=LTR><SPAN LANG="en-us"><B><I></I></B></SPAN><SPAN LANG="en-us"><B><I></I></B></SPAN><B><I><SPAN LANG="en-us"></SPAN></I></B><B><I><SPAN LANG="en-us"><FONT SIZE=4 FACE="Comic Sans MS">Paul M. Grant, PhD</FONT></SPAN></I></B></P>
<P DIR=LTR><SPAN LANG="en-us"><B><I></I></B></SPAN><B><I><SPAN LANG="en-us"></SPAN></I></B><B><I><SPAN LANG="en-us"><FONT FACE="Comic Sans MS">Physicist and Science Writer</FONT></SPAN></I></B><SPAN LANG="en-us"></SPAN><SPAN LANG="en-us"></SPAN></P>
<P DIR=LTR><SPAN LANG="en-us"><B></B></SPAN><SPAN LANG="en-us"><B></B></SPAN><B><SPAN LANG="en-us"></SPAN></B><B><SPAN LANG="en-us"><FONT SIZE=2 FACE="Arial">Principal, W2AGZ Technologies</FONT></SPAN></B><SPAN LANG="en-us"></SPAN><SPAN LANG="en-us"></SPAN></P>
<P DIR=LTR><SPAN LANG="en-us"><B></B></SPAN><SPAN LANG="en-us"><B></B></SPAN><B><SPAN LANG="en-us"></SPAN></B><B><SPAN LANG="en-us"><FONT SIZE=2 FACE="Arial">Visiting Scholar, Applied Physics, Stanford (2005-2008)</FONT></SPAN></B><SPAN LANG="en-us"></SPAN><SPAN LANG="en-us"></SPAN></P>
<P DIR=LTR><SPAN LANG="en-us"><B></B></SPAN><SPAN LANG="en-us"><B></B></SPAN><B><SPAN LANG="en-us"></SPAN></B><B><SPAN LANG="en-us"><FONT SIZE=2 FACE="Arial">EPRI Science Fellow (Retired)</FONT></SPAN></B><SPAN LANG="en-us"></SPAN><SPAN LANG="en-us"></SPAN></P>
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