<html><head><meta http-equiv="Content-Type" content="text/html charset=windows-1252"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;"><div style="margin: 0px 0px 0px 34.6px; text-indent: -34.7px;">Thank you Paolo. I modified the input file as you requested, but still output doesn’t change. It still looks 216x216x216.</div><div style="margin: 0px; min-height: 14px;"><br></div><div style="margin: 0px;">pp.x document says that I can use output_format = 3 to manipulate grid density, otherwise grid density is taken from FFT grid (or Fourier components are used), however it doesn’t seem to work even though I tried all possible 3D options for output_format. </div><div style="margin: 0px; min-height: 14px;"><br></div><div style="margin: 0px;">Input file:</div><div style="margin: 0px; min-height: 14px;"><br></div><div style="margin: 0px; font-size: 11px; font-family: Menlo; background-color: rgb(254, 244, 156);">&INPUTPP</div><div style="margin: 0px; font-size: 11px; font-family: Menlo; background-color: rgb(254, 244, 156);">outdir='./'</div><div style="margin: 0px; font-size: 11px; font-family: Menlo; background-color: rgb(254, 244, 156);">prefix='in'</div><div style="margin: 0px; font-size: 11px; font-family: Menlo; background-color: rgb(254, 244, 156);">plot_num=0</div><div style="margin: 0px; font-size: 11px; font-family: Menlo; background-color: rgb(254, 244, 156);">spin_component=0</div><div style="margin: 0px; font-size: 11px; font-family: Menlo; background-color: rgb(254, 244, 156);">filplot='tmp_dens'</div><div style="margin: 0px; font-size: 11px; font-family: Menlo; background-color: rgb(254, 244, 156);">/</div><div style="margin: 0px; font-size: 11px; font-family: Menlo; background-color: rgb(254, 244, 156);">&PLOT</div><div style="margin: 0px; font-size: 11px; font-family: Menlo; background-color: rgb(254, 244, 156);">nfile=1</div><div style="margin: 0px; font-size: 11px; font-family: Menlo; background-color: rgb(254, 244, 156);">output_format=3</div><div style="margin: 0px; font-size: 11px; font-family: Menlo; background-color: rgb(254, 244, 156);">fileout='density.xsf'</div><div style="margin: 0px; font-size: 11px; font-family: Menlo; background-color: rgb(254, 244, 156);">iflag=3</div><div style="margin: 0px; font-size: 11px; font-family: Menlo; background-color: rgb(254, 244, 156);">e1(1)=1.0, e1(2)=0.0, e1(3)=0.0,</div><div style="margin: 0px; font-size: 11px; font-family: Menlo; background-color: rgb(254, 244, 156);">e2(1)=0.0, e2(2)=1.0, e2(3)=0.0,</div><div style="margin: 0px; font-size: 11px; font-family: Menlo; background-color: rgb(254, 244, 156);">e3(1)=0.0, e3(2)=0.0, e3(3)=1.0,</div><div style="margin: 0px; font-size: 11px; font-family: Menlo; background-color: rgb(254, 244, 156);">x0(1)=0.0, x0(2)=0.0, x0(3)=0.0,</div><div style="margin: 0px; font-size: 11px; font-family: Menlo; background-color: rgb(254, 244, 156);">nx=144, ny=144, nz=144</div><div style="margin: 0px; font-size: 11px; font-family: Menlo; background-color: rgb(254, 244, 156);">/</div><div style="margin: 0px; min-height: 14px;"><br></div><div style="margin: 0px;">Thanks,</div><div style="margin: 0px;"><br></div><div style="margin: 0px;">Saritas Kayahan</div><div style="margin: 0px;">PhD Student</div><div style="margin: 0px;">Grossman Group</div><div style="margin: 0px;">Office: 13-4069</div><div style="margin: 0px;">Cell: +1-617-955-3981</div><div style="margin: 0px;">Office: +1-617-258-8741</div><div style="margin: 0px; color: rgb(71, 135, 255);"><span style="color: #000000">Email: <a href="mailto:kayahan@mit.edu">kayahan@mit.edu</a></span></div><div style="margin: 0px; min-height: 14px;"><br></div><div style="margin: 0px; min-height: 14px;"><br></div><div style="margin: 0px; min-height: 14px;"><br></div></body></html>