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<TITLE>Getting DOS at Fermi Energy</TITLE>
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<P DIR=LTR><SPAN LANG="en-us"><FONT FACE="Calibri">There must be an easier way to get the density-of-states at the Fermi level</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri"> then what I</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">’</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">m doing now, viz., using dos.x or the la2f flag and interpolating th</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">rough the output. I note that pp.x has</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri"> a</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri"> feature</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">“</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">p</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">lot_num = 3</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">which purports to give the</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">“</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">local density of states at e_fermi</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"> but I see no way of configuring</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">the &plot namelist to yield other than a plot file</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">…</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">and of course the DOS at Ef is just a number.</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri"> I tried scanning through the</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">fortran source and just got more confused. Does a simple tool exist to extract this number from</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">a full DOS cal</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">culation? If not, I might consider writing one.</FONT></SPAN></P>
<P DIR=LTR><SPAN LANG="en-us"><FONT FACE="Calibri">BTW, Happy Columbus Day to All!</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><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>
<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">IBM Research Staff Member Emeritus</FONT></SPAN></B><SPAN LANG="en-us"></SPAN><SPAN LANG="en-us"></SPAN></P>
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