I am sorry, this is my mistake, but I thing the order of filepp(i) and weight(i) could be another problem.
At 2011-11-15 19:44:40,"Guido Fratesi" <fratesi at mater.unimib.it> wrote: >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 >> >> >> >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://www.democritos.it/mailman/listinfo/pw_forum > >-- >Guido Fratesi > >Dipartimento di Scienza dei Materiali >Universita` degli Studi di Milano-Bicocca >via Cozzi 53, 20125 Milano, Italy >_______________________________________________ >Pw_forum mailing list >Pw_forum at pwscf.org >http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20111115/69f67b40/attachment-0001.htm