<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<br></p>