<div><br></div>Dear QE users,<div><br></div><div>Hi,</div><div><br clear="all"><div>When I try to plot the charge density for my case, the core regions seem to be empty. </div><div>I wonder what am I missing during the post processig? Should'nt the pseudo wave functions have tail inside the core regions</div>
<div>and consequently, should'nt I expect charge density inside the core regions ? </div><div>I have used 16*16*16 grid of k-points in scf calculation and part of the input file for plotting is like:</div><div><div> &plot</div>
<div> nfile = 1</div><div> filepp(1) = 'charge'</div><div> weight(1) = 1.0</div><div> iflag = 3</div><div> output_format =3</div><div> fileout = '110-dens.xsf'</div><div> e1(1) = 1.0, e1(2)=1.0, e1(3)=0.0,</div>
<div> e2(1)=0.0, e2(2)=0.0, e2(3) = 1.0,</div><div> e3(1)=1.0, e3(2)=-1.0, e3(3)=0.0,</div><div> x0(1)=0.0, x0(2)=0.0,x0(3)=0.0</div><div> nx=72, ny=72, nz=72</div><div> /</div></div><div><br></div><div>Thanks in advance.</div>
<div>Yours,</div><div>Mohaddeseh</div>---------------------------------------------------------<br><br>Mohaddeseh Abbasnejad, <br>Room No. 323, Department of Physics, <br>University of Tehran, North Karegar Ave.,<br>Tehran, P.O. Box: 14395-547- IRAN <br>
Tel. No.: +98 21 6111 8634 & Fax No.: +98 21 8800 4781<br>Cellphone: +98 917 731 7514<br>E-Mail: <a href="mailto:m.abbasnejad@gmail.com" target="_blank">m.abbasnejad@gmail.com</a><br>Website: <a href="http://physics.ut.ac.ir" target="_blank">http://physics.ut.ac.ir</a><br>
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