<div><font class="Apple-style-span" size="4">Dear all:</font></div><div><font class="Apple-style-span" size="4"> I want to know the calculational equation of partial density of state(PDOS) in QE.</font></div><div>
<font class="Apple-style-span" size="4"> I could not find the equation on any paper. I think it may be:</font></div><div><font class="Apple-style-span" size="4">\int_0^{Rcut} \Psi(\vec r)*R_n(r)*Y_{lm}(\theta,\phi)*r^2 dr d\theta d\phi.</font></div>
<div><font class="Apple-style-span" size="4">where the Psi(\vec r) is the KS wave function of solid. Y_{lm}(\theta,\phi) is the spherical harmonics. R_n(r) is the the radial wave function of a isolated atom.</font></div>
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<font class="Apple-style-span" size="4"> If I was right, what is the formation of R_n(r)?</font></div><div><font class="Apple-style-span" size="4"><br></font></div><div><font class="Apple-style-span" size="4">Thanks in advance:)</font></div>
<font class="Apple-style-span" size="4"><br>-- <br>____________________________________<br>Hui Wang<br>School of physics, Fudan University, Shanghai, China</font><br>