Dear Wasim, On 06/12/2013 12:09 PM, wasim raja Mondal wrote:
I have written wien2wannier mail. But I didnot get any reply. So
It is surely not my place to dispense personal advice, but ... Maybe you should be a little more patient? You wrote me two e-mails *yesterday* to <wien2wann...@ifp.tuwien.ac.at> (yes, it is just me behind that address, just a lowly grad student).
I am writting wien2k mailing list. I am using wien2wannier for BaTiO3. I want to construct 9 wannier function for 3 O p orbital. I am getting the following error: Wannier90: Execution started on 12Jun2013 at 20:46:02 Exiting....... No subdir.eig file found. Needed for interpolation
Asking good questions is a skill. [1] Since you no longer talk about the problem you mentioned in the personal e-mails, I am going to assume you solved that one on your own.
Now, all I can tell you about the error you are seeing is that the “.eig” file should be created by “w2w”, so obviously something went wrong at that step or before.
Below I am giving the win file.
Unfortunately that does not help me help you. Elias [1] <http://www.catb.org/esr/faqs/smart-questions.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