On 03/09/2015 06:54 PM, wasim raja Mondal wrote:
Hi, In wein2k_14 version, wannier90 also compiled with wien2k? At the stage of wanner90.x -pp I am getting this error /home/wien2k_14_installation/wannier90: line 156: wannier90.x: command not found 0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0wI have to separately download and install wannier90 and add the path in bashrc? On Mon, Mar 9, 2015 at 9:22 PM, wasim raja Mondal <wasimr.mon...@gmail.com <mailto:wasimr.mon...@gmail.com>> 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 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
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