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

[Guido Fratesi]

No, the order within the namelist is not important, but you solved the 
problem by correctly typing the variable names.
GF

Il 11/15/2011 12:47 PM, GAO Zhe ha scritto:
> 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|^2files 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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-- 
Guido Fratesi

Dipartimento di Scienza dei Materiali
Universita` degli Studi di Milano-Bicocca
via Cozzi 53, 20125 Milano, Italy