Oh, I am sorry to bother~ I have found the problem. This problem occurred when filepp(i) have not been written together, i.e.: filepp(1) filepp(2) .... filepp(max) weight(1) weight(2) .... weight(max) is the only right way to create the input file.
At 2011-11-15 19:29:46,"GAO Zhe" <flux_ray12 at 163.com> wrote: Dear QE developer and users: Hi I am using pp.x to generate the charge density file on certain surface. The work for namelist, &inputpp, worked very well. However, when I wanna summary the results from &inputpp to xcrysden file, the error occurred: chdens, namelist plot not found or invalid, exiting Actually, I changed chdens.f90 a little bit on INTEGER, PARAMETER :: nfilemax = 30, but I do not think this is the reason to meet such a problem~ Since if I create a short input file by PWGUI, then it works well. However, even if the short one created by myself, the same error happened. Now, I need to summary more than 20 |psi|^2 files due to the density k-points mesh, so it is impossible to build the input file via PWGUI's help. I checked chdens.f90, again, but I cannot understand the meaning of error~ Any suggetstion will be welcome. P.S.: This is my input file (the &inputpp file have generated in the previous steps) : &inputpp / &plot nfile = 27 , filpp(1) = 'CD_1.dat' , weight(1) = 0.0160000 , filpp(2) = 'CD_2.dat' , weight(2) = 0.0320000 , filpp(3) = 'CD_3.dat' , weight(3) = 0.0320000 , filpp(4) = 'CD_4.dat' , weight(4) = 0.0320000 , filpp(5) = 'CD_5.dat' , weight(5) = 0.0640000 , filpp(6) = 'CD_6.dat' , weight(6) = 0.0640000 , filpp(7) = 'CD_7.dat' , weight(7) = 0.0320000 , filpp(8) = 'CD_8.dat' , weight(8) = 0.0640000 , filpp(9) = 'CD_9.dat' , weight(9) = 0.0640000 , filpp(10) = 'CD_10.dat' , weight(10) = 0.0320000 , filpp(11) = 'CD_11.dat' , weight(11) = 0.0640000 , filpp(12) = 'CD_12.dat' , weight(12) = 0.0640000 , filpp(13) = 'CD_13.dat' , weight(13) = 0.0640000 , filpp(14) = 'CD_14.dat' , weight(14) = 0.1280000 , filpp(15) = 'CD_15.dat' , weight(15) = 0.1280000 , filpp(16) = 'CD_16.dat' , weight(16) = 0.0640000 , filpp(17) = 'CD_17.dat' , weight(17) = 0.1280000 , filpp(18) = 'CD_18.dat' , weight(18) = 0.1280000 , filpp(19) = 'CD_19.dat' , weight(19) = 0.0320000 , filpp(20) = 'CD_20.dat' , weight(20) = 0.0640000 , filpp(21) = 'CD_21.dat' , weight(21) = 0.0640000 , filpp(22) = 'CD_22.dat' , weight(22) = 0.0640000 , filpp(23) = 'CD_23.dat' , weight(23) = 0.1280000 , filpp(24) = 'CD_24.dat' , weight(24) = 0.1280000 , filpp(25) = 'CD_25.dat' , weight(25) = 0.0640000 , filpp(26) = 'CD_26.dat' , weight(26) = 0.1280000 , filpp(27) = 'CD_27.dat' , weight(27) = 0.1280000 , fileout = 'CDresult.xsf' , iflag = 2 , output_format = 3 , e1(1) = 2.0, e1(2) = 0.0, e1(3) = 0.0, e2(1) = 0.0, e2(2) = 2.0, e2(3) = 0.0, x0(1) = 0.0, x0(2) = 0.0, x0(3) = 0.0, nx = 45 , ny = 45 , / -- GAO Zhe CMC Lab, MSE, SNU, Seoul, S.Korea -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20111115/5769bf63/attachment.htm