[Wien] error in wannier function plotting with wien2wannier

wasim raja Mondal wasimr.mondal at gmail.com
Tue Mar 10 10:27:38 CET 2015


Dear Ellias,
                    I have a doubt thet my mail is sent or not. I am
sending you again. I am facing following problem


         My case is subdir_final.

         I am able to produce the following

           *write_wplotdef subdir_final*


*write_wplotin subdir_final*
           *prepare_plots.sh subdir_final*

           I have got the following files:

subdir_final_1.psiarg


subdir_final_1.psink


subdir_final_2.psiarg


subdir_final_2.psink


subdir_final_3.psiarg

                   subdir_final_3.psink

             * xsfAll.sh subdir_final*
              I have got the following files:
              subdir_final_1.xsf.gz
              subdir_final_2.xsf.gz
              subdir_final_3.xsf.gz

              When I open these file in xcrysden, I am not finding anything.
             I gunzip one file

            * gunzip subdir_final_1.xsf.gz*
             Inside this file it is showing

          [E] Could not find file subdir_final_final.psink





version1:
              To transform xsf file I use the command

               * wplot2xsf subdir_final*

               I am getting following error message

              Traceback (most recent call last):
  File "/home/wasim/wien2k_14_installation/wplot2xsf", line 112, in <module>
    args = parser.parse_args()
  File "/usr/lib/python2.7/argparse.
py", line 1688, in parse_args
    args, argv = self.parse_known_args(args, namespace)
  File "/usr/lib/python2.7/argparse.py", line 1720, in parse_known_args
    namespace, args = self._parse_known_args(args, namespace)
  File "/usr/lib/python2.7/argparse.py", line 1929, in _parse_known_args
    stop_index = consume_positionals(start_index)
  File "/usr/lib/python2.7/argparse.py", line 1885, in consume_positionals
    take_action(action, args)
  File "/usr/lib/python2.7/argparse.py", line 1778, in take_action
    argument_values = self._get_values(action, argument_strings)
  File "/usr/lib/python2.7/argparse.py", line 2218, in _get_values
    value = [self._get_value(action, v) for v in arg_strings]
  File "/usr/lib/python2.7/argparse.py", line 2233, in _get_value
    result = type_func(arg_string)
  File "/home/wasim/wien2k_14_installation/wplot2xsf", line 58, in
int_or_file
    else:        return open(x)
IOError: [Errno 2] No such file or directory: 'subdir_final'
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