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

[Guido Fratesi]

Dear Gao Zhe,
"filpp" should be "filepp", at least.
Guido

Il 11/15/2011 12:29 PM, GAO Zhe ha scritto:
> 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