Dear developer, I was trying to use denchar utility to plot Wavefunctions. I copied the .DM, .DIM, .ion, .PLD, .WFS files to a directory, and the input.fdf is attached. It showed the following error message:
$ ./denchar < input.fdf Species number: 1 Label: H Atomic number: 1 Species number: 2 Label: Si Atomic number: 14 DENSITY MATRIX NOT FOUND CHECK YOU HAVE COPIED IT FROM THE DIRECTORY WHERE YOU HAVE RUN SIESTA Stopping Program from Node: 0 Segmentation fault It seems that it needs the .DM file, but I have this file on the directory: $ ls denchar input.fdf out.fdf ROD_011_d1_1nm.DM ROD_011_d1_1nm.WFS H.ion ROD_011_d1_1nm.DIM ROD_011_d1_1nm.PLD Si.ion And the SystemLabel is set in the input.fdf file: $ cat input.fdf | head -2 SystemLabel ROD_011_d1_1nm # Short name for naming files Please give me some hints, I am really don't know what can be wrong. Thanks a lot!!! Cherry ____________________________________________________________________________________ Do you Yahoo!? Everyone is raving about the all-new Yahoo! Mail beta. http://new.mail.yahoo.com
input.fdf
Description: 4008754601-input.fdf
