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
