<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><br><div><div>On Feb 16, 2010, at 12:45 PM, premlata pandit wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><p>Dear all, </p><p>i have tried to calculate the charge density plot for Mg2Si as mentioned in example05.</p>
<div>this is a input of pp.x <br> </div>
<div>&inputpp<br> prefix = 'mg2si'<br> outdir = './OUT'<br> filplot = 'mg2sicharge'<br> plot_num= 0<br> /<br> &plot<br> nfile = 1<br> filepp(1) = 'mg2sicharge'<br>
weight(1) = 1.0<br> iflag = 2<br> output_format = 2<br> fileout = 'mg2si.rho2.dat'<br> e1(1) =1.0, e1(2)=1.0, e1(3) = 0.0,<br> e2(1) =0.0, e2(2)=0.0, e2(3) = 1.0,<br> nx=56, ny=40<br> /<br> <br>
but i am little confused about <strong>nfile = the no of input files</strong>. from above input the charge density plot is shown in fig1 <br>but if i change input <br>&plot<br> nfile = 2<br> filepp(2) = 'mg2sicharge'<br>
weight(2) = 2.0<br>the charge density plot shown in fig2.</div><p>please see the attached figures and <br>give me valuable suggestions, which plot is right.<br clear="all"><br>-- <br>With Regards and Thanks<br>Premlata Pandit <br>Ph.d. Student <br>Barkatullah University <br>Bhopal 462 026 (M.P) <br>
India</p></blockquote></div><br><div><br class="webkit-block-placeholder"></div><div>
<span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div>If you want just to plot some charge density file, you must specify nfile=1, filepp(1)=name_of_file_to_plot</div><div><br></div><div>nfile>1 is used if you want to plot a linear combination of different files</div><div><br></div><div>From Doc/INPUT_PP.txt : </div><div><div>+--------------------------------------------------------------------</div><div> Variable: weight(i), i=1,nfile</div><div><br></div><div> Type: REAL</div><div> Default: weight(1)=1.0</div><div> Description: weighing factors: assuming that rho(i) is the quantity</div><div> read from filepp(i), the quantity that will be plotted is:</div><div> weight(1)*rho(1) + weight(2)*rho(2) + weight(3)*rho(3)+...</div><div> +--------------------------------------------------------------------</div><br></div><div><br></div><div>giovanni</div><div><br></div><div>--</div><div><br></div><div>Dr. Giovanni Cantele<br>Coherentia CNR-INFM and Dipartimento di Scienze Fisiche<br>Universita' di Napoli "Federico II"<br>Complesso Universitario di Monte S. Angelo - Ed. 6<br>Via Cintia, I-80126, Napoli, Italy<br>Phone: +39 081 676910<br>Fax: +39 081 676346<br>E-mail: <a href="mailto:giovanni.cantele@cnr.it">giovanni.cantele@cnr.it</a><br> <a href="mailto:giovanni.cantele@na.infn.it">giovanni.cantele@na.infn.it</a><br>Web: <a href="http://people.na.infn.it/~cantele">http://people.na.infn.it/~cantele</a><br>Research Group: <a href="http://www.nanomat.unina.it/">http://www.nanomat.unina.it</a><br>Skype contact: giocan74</div></span>
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