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<P DIR=LTR><SPAN LANG="en-us"><FONT FACE="Calibri">I realize charge-density.dat is stored in iotk binary format</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri"> and the reasons why. But is there any documentation illuminating the layout of the file or how to access</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">the data stored therein? I</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">’</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">ve poked around in the source code of chden and electrons but</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">it</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">’</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">s not terribly obvious</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri"> how they load the data, which I assume is</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">a</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">necessary</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">task</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">somewhere in these two routines</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">…</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">at least not in four or fiv</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">e minutes of</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">manual</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">scanning.</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri"> All I really want to do is write a (hopefully small)</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">Fortran</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">routine to load</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">data from charge-density.dat into a four</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri"> (x, y, z, rho) by number-of-points array</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">. Maybe there</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">’</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri">s even an iotk subroutine someone has</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri"> laying around</FONT></SPAN><SPAN LANG="en-us"><FONT FACE="Calibri"> to do just that.</FONT></SPAN><SPAN LANG="en-us"></SPAN></P>
<P DIR=LTR><SPAN LANG="en-us"><FONT FACE="Calibri">BTW, I assume the units are</FONT></SPAN><SPAN LANG="en-us"> <FONT FACE="Calibri">electrons/cubic-au as a function of x, y, z?</FONT></SPAN><SPAN LANG="en-us"></SPAN></P>
<P DIR=LTR><SPAN LANG="en-us"><FONT FACE="Calibri">Best to all, -Paul</FONT></SPAN><SPAN LANG="en-us"></SPAN></P>
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<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>
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