<div dir="ltr">Hi.<div><br></div><div>My quick and dirty homemade way</div><div><br></div><div><span style="font-family:monospace,monospace">ls -1 pdos_atm* > list.dat</span><br></div><div><font face="monospace, monospace">grep "(p" list.dat > list_2p.dat<br>sumpdos.x -f list_2p.dat > pdos_2p.dat  </font><br></div><div><font face="monospace, monospace"><br></font></div><div><font face="monospace, monospace">HTH</font></div><div><font face="monospace, monospace"><br></font></div><div><font face="monospace, monospace">ff</font></div></div><br><div class="gmail_quote"><div dir="ltr">On Wed, Dec 12, 2018 at 10:39 AM Gui Wei <<a href="mailto:201707021019@cqu.edu.cn">201707021019@cqu.edu.cn</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div><span lang="EN-US" style="text-indent:7pt"><font face="Times New Roman" size="4">Hi,<u></u><u></u></font></span></div><div><font face="Times New Roman" size="4"><span lang="EN-US" style="text-indent:7pt">When I sum the pdos for 2p orbitals of 64 carbon
atoms with sumpdos.x : ./sumpdos.x C.pdos_atm#1(\C\)_wfc#2\(p\) C.pdos_atm#2(\C\)_wfc#2\(p\)……C.pdos_atm#64(\C\)_wfc#2\(p\).I
obtain the result that contains only <a name="m_5434891892472965177_OLE_LINK1">two columns</a> of
data:E(eV)and pdos(E) rather than four columns:E(eV) pdos(E) pdos(E) pdos(E).</span><span lang="EN-US" style="text-indent:7pt"> </span><span lang="EN-US" style="text-indent:7pt">But what I care about is the result of superposition of 2Pz </span><span lang="EN-US" style="text-indent:7pt">orbital's states.</span><span lang="EN-US" style="text-indent:7pt"> </span><span lang="EN-US" style="text-indent:7pt">Is there any easy way to quickly count the data I
want?</span></font></div><div><span lang="EN-US" style="text-indent:7pt"><font face="Times New Roman" size="4"><br></font></span></div><div><span lang="EN-US" style="text-indent:7pt"><font face="Times New Roman" size="4"><br></font></span></div><div><span lang="EN-US" style="text-indent:7pt"><font face="Times New Roman" size="4"><div style="text-indent:0px">Gui Wei</div><div style="text-indent:0px">School of Mechanical Engineering，Chongqing University, China</div></font></span></div>_______________________________________________<br>
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