-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 On 09/09/2015 06:22 PM, nilofar hadaeghi wrote: > I really thank You. I will try to find these lines in the source > code of w2w but any further help would be desirable. BerryPI > Version 1.2 Python version: 2.7.3 Numpy version: 1.6.2
At least on the first level, this is a problem in w2w, so I do not think the BerryPI version is relevant, much less Python of numpy. Assuming you are using the latest Wien2k version (WIEN2k_14.2 (Release 15/10/2014)) and the wien2wannier version distributed with it, the ‘Id:’ lines I asked for (which give the precise version of the file) would be > grep Id: almgen.F main.f l2mmn.f almgen.F:!!! $Id: almgen.F 167 2014-02-03 09:43:33Z assmann $ main.f:!!! $Id: main.f 199 2014-04-11 16:18:29Z assmann $ l2mmn.f:!!! $Id: l2mmn.f 167 2014-02-03 09:43:33Z assmann $ Please tell me if that is correct. I looked at the differences between those versions and my most recent ones, but I did not find any differences that seem relevant to your error, which would mean that the error should still occur in the development version. Bottom line: if you are not using the Wien2k 14.2, please upgrade and try again. If you are, please send me the struct file and init parameters for which the error happens, so I can try to reproduce it. Elias -----BEGIN PGP SIGNATURE----- Version: GnuPG v1 Comment: Using GnuPG with Icedove - http://www.enigmail.net/ iQIcBAEBAgAGBQJV8GKRAAoJEE/4gtQZfOqPjCYQAIBzi/MhBsCl0XjcTwH/TzR9 1ZdtEHapQue85JCwfaI5+gJYf5F3hPGSH4j8uTvIa5nABmmD3Fmq1UPIUpxbfAt3 PwKYZx2HAaaOy8GE2Kd6sbSUk/EfjzwDRgVnAvcclawAz8S70mc/jPKRIL+Zzyxs 0zWAjaCIXO/rJzzk+PUL2oKyDNUw301pMB6XurkcYtwjKNjKk6GXKhc2L1BUfwcW jQZugT8QtTITU8/Ol8kJT/Tari0OfxKV0wLzz+w2DaoV7rvNNZHywyhYUOqoM0sf s6PP621CA7wyC/b0c+yFJiJ2Q8hEZ6n+jXFG1/jEMAv7jkbGZipP2FEwYzOpCoUR 3T2ONxbqeJx/MlcTCPZeapGtFt82td0oxCzgllIliYUnaSeOoYHXhSfkGEoIPB2k iVTPRt/RYds4Dn1mo5Br/IgznrdM4/2J7ZLBqGvWpU9Gg7P7Us3nSwv+91hti3Dn 9gNOqs1KbUPttRFu0i1iApY5pMFUcCH6e25/D3+fj6Pk386Bc3so69iXXbUZ8N9p Fq+u1beVhM6+JhYgWmK/sBnaxSiqZbEcxVnROeRqOJTieGVlmjTCp0XkHNM3focp Ltjsh6kQAexl48BuJ9lUodqAAjtKkNGmVqrXFnwmwhTDslzmPxkbhA7/zmeTJNDm bnzF8D667POkRjeG5Rof =vH91 -----END PGP SIGNATURE----- _______________________________________________ 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