Dear Gavin and Tomas, this is the error in lapw1.error Error in LAPW1 'INILPW' - can't open unit: 18
'INILPW' - filename: ZrO2-Fe.vsp 'INILPW' - status: old form: formatted 'LAPW1' - INILPW aborted unsuccessfully. and this calculation with spin polarized 2013/8/1 Tomas Kana <k...@seznam.cz> > Dear Mourad Boujnah, > > Just a guess: Do you perform a non-magnetic or a spin polarized > calculation? > > (in your directory you have Ferro-dos) > > If you initialized your structure as spin-polarized, you should use > runsp_lapw instead of run_lapw > > If this is really the cause of your problem, I would erase everything > except struct file > > and initialize again and then run runsp_lapw > > Tomas > > > ---------- Původní zpráva ---------- > Od: mourad boujnah <boujnah.mou...@gmail.com> > Datum: 1. 8. 2013 > Předmět: [Wien] mbj error > > Dear Wien2k Users, > > I am using Wien2k 13 version and i am performing mBj calculations. > In the firt step when I give the command > run_lapw -i 1 -NI > The following error appeared. > oujnah@boujnah:~/WIEN2k/Boujnah/TM-ZrO2/Ferro-dos/ZrO2-Fe$ run_lapw -i 1 > -NI > hup: Command not found. > LAPW0 END > LAPW1 - Error > > > stop error > Please can you help me to overcome this problem .? > > Cordialy > > -- > Mourad BOUJNAH > PhD Student in laboratory of magnetism and physics of high energy > Faculty of Sciences in Rabat - Morocco > Tel: *+212 **677316706* > Email: *boujnah.mou...@gmail.com > **"Research is to see what everybody else has seen, and to think what > nobody else has thought"* > > > _______________________________________________ > 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 > > -- Mourad BOUJNAH PhD Student in laboratory of magnetism and physics of high energy Faculty of Sciences in Rabat - Morocco Tel: *+212 **677316706* Email: *boujnah.mou...@gmail.com **"Research is to see what everybody else has seen, and to think what nobody else has thought"*
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