[Pw_forum] problem about pp.x: namelist plot not found or invalid

[GAO Zhe]

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



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