<div style="line-height:1.7;color:#000000;font-size:14px;font-family:arial">Oh, I am sorry to bother~ I have found the problem.<br>This problem occurred when filepp(i) have not been written together, i.e.:<br><span style="color: rgb(255, 0, 0);"><span style="color: rgb(255, 0, 0);"></span><span style="color: rgb(0, 0, 255);"><span style="color: rgb(255, 0, 0);"><span style="color: rgb(0, 0, 255);">filepp(1)</span><br><span style="color: rgb(0, 0, 255);">filepp(2)</span><br></span><span style="color: rgb(0, 0, 255);">....</span><br><span style="color: rgb(0, 0, 255);">filepp(max)</span></span><span style="color: rgb(255, 0, 0);"></span><br><span style="color: rgb(255, 0, 0);">weight(1)<br>weight(2)<br></span><span style="color: rgb(255, 0, 0);">....</span><br><span style="color: rgb(255, 0, 0);">weight(max)</span></span><br>is the only right way to create the input file.<br><br><div></div><div id="divNeteaseMailCard"></div><br>At 2011-11-15 19:29:46,"GAO Zhe" <flux_ray12@163.com> wrote:<br> <blockquote id="isReplyContent" style="padding-left: 1ex; margin: 0px 0px 0px 0.8ex; border-left: 1px solid rgb(204, 204, 204);"><div style="line-height: 1.7; color: rgb(0, 0, 0); font-size: 14px; font-family: arial;"> Dear QE developer and users:<br>Hi<br>I am using <span style="color: rgb(0, 128, 0);">pp.x</span> to generate the charge density file on certain surface. The work for namelist, <span style="color: rgb(0, 128, 0);">&inputpp</span>, worked very well.<br>However, when I wanna summary the results from <span style="color: rgb(0, 128, 0);">&inputpp</span> to xcrysden file, the error occurred:<br>      <span style="color: rgb(255, 0, 0);"><span style="color: rgb(255, 0, 0);">chdens, </span><span style="color: rgb(255, 0, 0);">namelist plot not found or invalid</span><span style="color: rgb(255, 0, 0);">, exiting</span></span><br>Actually, I changed <span style="color: rgb(0, 128, 0);">chdens.f90</span> a little bit on   <span style="color: rgb(0, 0, 255);">INTEGER, PARAMETER :: nfilemax = 30</span>, but I do not think this is the reason to meet such a problem~ Since if I create a short input file by <span style="color: rgb(128, 128, 0);">PWGUI</span>, then it works well. However, even if the short one created by myself, the same error happened.<br>Now, I need to summary more than 20 <span style="color: rgb(0, 255, 255);"></span><span style="color: rgb(0, 0, 128);"><span style="color: rgb(0, 0, 128);">|psi|^2</span><span style="color: rgb(0, 0, 128);"></span></span> files due to the density k-points mesh, so it is impossible to build the input file via <span style="color: rgb(128, 128, 0);">PWGUI</span>'s help.<br>I checked <span style="color: rgb(0, 128, 0);">chdens.f90</span>, again, but I cannot understand the meaning of error~<br>Any suggetstion will be welcome.<br>P.S.: This is my input file (the &inputpp file have generated in the previous steps) :<br> <span style="color: rgb(255, 0, 0);">&inputpp</span><br><span style="color: rgb(255, 0, 0);"><span style="color: rgb(255, 0, 0);"> /</span><br><span style="color: rgb(255, 0, 0);"> &plot</span></span><br>                       nfile = 27 ,<br>                    filpp(1) = 'CD_1.dat' ,<br>                   weight(1) = 0.0160000 , <br>                    filpp(2) = 'CD_2.dat' ,<br>                   weight(2) = 0.0320000 , <br>                    filpp(3) = 'CD_3.dat' ,<br>                   weight(3) = 0.0320000 , <br>                    filpp(4) = 'CD_4.dat' ,<br>                   weight(4) = 0.0320000 , <br>                    filpp(5) = 'CD_5.dat' ,<br>                   weight(5) = 0.0640000 , <br>                    filpp(6) = 'CD_6.dat' ,<br>                   weight(6) = 0.0640000 , <br>                    filpp(7) = 'CD_7.dat' ,<br>                   weight(7) = 0.0320000 , <br>                    filpp(8) = 'CD_8.dat' ,<br>                   weight(8) = 0.0640000 , <br>                    filpp(9) = 'CD_9.dat' ,<br>                   weight(9) = 0.0640000 , <br>                   filpp(10) = 'CD_10.dat' ,<br>                  weight(10) = 0.0320000 , <br>                   filpp(11) = 'CD_11.dat' ,<br>                  weight(11) = 0.0640000 , <br>                   filpp(12) = 'CD_12.dat' ,<br>                  weight(12) = 0.0640000 , <br>                   filpp(13) = 'CD_13.dat' ,<br>                  weight(13) = 0.0640000 , <br>                   filpp(14) = 'CD_14.dat' ,<br>                  weight(14) = 0.1280000 , <br>                   filpp(15) = 'CD_15.dat' ,<br>                  weight(15) = 0.1280000 , <br>                   filpp(16) = 'CD_16.dat' ,<br>                  weight(16) = 0.0640000 , <br>                   filpp(17) = 'CD_17.dat' ,<br>                  weight(17) = 0.1280000 , <br>                   filpp(18) = 'CD_18.dat' ,<br>                  weight(18) = 0.1280000 , <br>                   filpp(19) = 'CD_19.dat' ,<br>                  weight(19) = 0.0320000 , <br>                   filpp(20) = 'CD_20.dat' ,<br>                  weight(20) = 0.0640000 , <br>                   filpp(21) = 'CD_21.dat' ,<br>                  weight(21) = 0.0640000 , <br>                   filpp(22) = 'CD_22.dat' ,<br>                  weight(22) = 0.0640000 , <br>                   filpp(23) = 'CD_23.dat' ,<br>                  weight(23) = 0.1280000 , <br>                   filpp(24) = 'CD_24.dat' ,<br>                  weight(24) = 0.1280000 , <br>                   filpp(25) = 'CD_25.dat' ,<br>                  weight(25) = 0.0640000 , <br>                   filpp(26) = 'CD_26.dat' ,<br>                  weight(26) = 0.1280000 , <br>                   filpp(27) = 'CD_27.dat' ,<br>                  weight(27) = 0.1280000 , <br>                     fileout = 'CDresult.xsf' ,<br>                       iflag = 2 ,<br>               output_format = 3 ,<br>                       e1(1) = 2.0,<br>                       e1(2) = 0.0,<br>                       e1(3) = 0.0,<br>                       e2(1) = 0.0,<br>                       e2(2) = 2.0,<br>                       e2(3) = 0.0,<br>                       x0(1) = 0.0,<br>                       x0(2) = 0.0,<br>                       x0(3) = 0.0,<br>                          nx = 45 ,<br>                          ny = 45 ,<br><span style="color: rgb(255, 0, 0);"> /</span><br><br><br><br><div>--<br>GAO Zhe<br>CMC Lab, MSE, SNU, Seoul, S.Korea<br>        
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