Dear Ellias, Thanks. yes that issue is solved. I am facing problem which is described below
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' On Tue, Mar 10, 2015 at 1:44 PM, Elias Assmann <elias.assm...@gmail.com> wrote: > On 03/09/2015 04:52 PM, wasim raja Mondal wrote: > >> Hi Ellias, >> Thanks. In 1.0 version when I am using write_inwf , it >> tells to give >> next proj. (3 to go; Ctrl-D if done)? V 2 >> didn't catch that: SITE and ORB must be given >> > > This is a question that the ‘-h’ switch of write_inwf (or the wien2wanner > user's guide) should really answer. Please look at that again, and if it > does not become clear, get back to me and tell me what you intend “V 2” to > mean. > > > Elias > > >> what I have to give for SrVO3? >> >> Regards >> wasim >> >> On Mon, Mar 9, 2015 at 8:06 PM, Elias Assmann <elias.assm...@gmail.com >> <mailto:elias.assm...@gmail.com>> wrote: >> >> Hi Wasim, >> >> Of course it is possible to produce plots (in psink+psiarg but also >> xsf format) using pre-1.0 wien2wannier (the last version was 0.97). >> If the problem is really the conversion to xsf, you should also be >> able to use the wplot2xsf script from the new wien2wannier version >> to do this conversion, regardless of where your psink/psiarg files >> came from. (That script is one of the things that changed a lot) >> >> However, I would recommend upgrading to Wien2k 14.2. This is of >> course the standard advice, but I think it applies especially to >> wien2wannier since so much has changed from 0.x to 1.0, and it is >> probably more trouble than it would ever be worth to “backport” >> wien2wannier 1.0 to Wien2k 13. >> >> Elias >> >> >> >> On 03/09/2015 02:27 PM, wasim raja Mondal wrote: >> >> Dear Ellias, >> I was using wien2k version 13 and >> wien2wannier version >> 0.96. With this version of wienwannier interface I am not able >> to plot >> wannier function. I am using SrVO3 example. I able to create >> case >> m.psiarg and case.psink but not creat XSF file to visualize in >> xcrsden. >> So my question is following >> >> >> 1. Is this bugs with version 0.96 of wien2wannier interface? >> >> 2. I have to install new veriosn (1.0)? If yes, then I have to >> install >> wienk_14? With wien2k_14 , wien2k_wannier interface will be >> automatically install? Wannier90 also? or I have to install >> separately >> install wannier90? >> >> >> 3. Is it possible to install this interface with wanneir13? >> >> >> Regards >> wasim >> >> >> _________________________________________________ >> Wien mailing list >> w...@zeus.theochem.tuwien.ac.__at >> <mailto:Wien@zeus.theochem.tuwien.ac.at> >> http://zeus.theochem.tuwien.__ac.at/mailman/listinfo/wien >> <http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien> >> SEARCH the MAILING-LIST at: >> http://www.mail-archive.com/__wien@zeus.theochem.tuwien.ac._ >> _at/index.html >> <http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac. >> at/index.html> >> >> >> _________________________________________________ >> Wien mailing list >> w...@zeus.theochem.tuwien.ac.__at >> <mailto:Wien@zeus.theochem.tuwien.ac.at> >> http://zeus.theochem.tuwien.__ac.at/mailman/listinfo/wien >> <http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien> >> SEARCH the MAILING-LIST at: >> http://www.mail-archive.com/__wien@zeus.theochem.tuwien.ac._ >> _at/index.html >> <http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac. >> at/index.html> >> >> >> >> >> _______________________________________________ >> Wien mailing list >> Wien@zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >> SEARCH the MAILING-LIST at: http://www.mail-archive.com/ >> wien@zeus.theochem.tuwien.ac.at/index.html >> >> > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: http://www.mail-archive.com/ > wien@zeus.theochem.tuwien.ac.at/index.html >
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