Thank you very much. Now I am able to run it successfully . On Sun, Jul 12, 2015 at 8:47 PM, Gavin Abo <gs...@crimson.ua.edu> wrote:
> The BFO.inso file will not work, because the X's should be replaced by a > number [ > http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10625.html > ]. > > > On 7/12/2015 8:21 AM, Paresh Chandra Rout wrote: > > First of all thank you for the helpful suggestion. According to your > advice I ran the *x lapwso -p -up -c *and got the following error > ERROR IN OPENING UNIT: 54 > FILENAME: > * BFO.energydn* > > STATUS: old FORM:formatted > OPEN FAILED > 0.038u 0.031s 0:00.13 46.1% 0+0k 2336+0io 8pf+0w > > Again when I ran *x lapwso -p -dn -c ,* the error wasERROR IN OPENING > UNIT: 9 > FILENAME: > ./*BFO.vector* > > STATUS: old FORM:unformatted > OPEN FAILED > 0.036u 0.028s 0:00.07 71.4% 0+0k 0+0io 0pf+0w > > The above two files BFO.energydn and BFO.vector does not exist in > working Directory instead I have many files like > BFO.energydn_1, BFO.energydn_2 and BFO.vectordn BFO.vectorup etc .. > > I have attached the case.inso file. In the mean while I am going through > your third suggestion. I will let you know as soon as the job get finished. > > > Kind Regards > Paresh > > On Sun, Jul 12, 2015 at 4:33 PM, Lyudmila Dobysheva <lyuk...@mail.ru> > wrote: > >> On 12.07.2015 12:31, Paresh Chandra Rout wrote: >> >>> And I have also attached some files of my system . >>> >> >> Still: > Gavin Abo > The given information is not enough to help. >> >> 1) File case.inso is under greatest suspicion, check and send it. >> >> 2) make in terminal >> x lapwso -p -up -c >> Check the output, it should be more clear. >> >> 3) Try to make a cycle in a sequential mode, not parallel (the diagnostic >> is usually more informative). For this you can temporarily decrease number >> of k-points. >> >> Some comment to your struct file, formally it looks o'k, but in xcrysden >> the structure seems not nice. Though, there are many wonders in nature... >> >> Best regards >> Lyudmila Dobysheva >> ------------------------------------------------------------------ >> Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci. >> 426001 Izhevsk, ul.Kirova 132 >> RUSSIA >> ------------------------------------------------------------------ >> Tel.:7(3412) 432045(office), 722529(Fax) >> E-mail: l...@ftiudm.ru, lyuk...@mail.ru (office) >> lyuk...@gmail.com (home) >> Skype: lyuka17 (home), lyuka18 (office) >> http://ftiudm.ru/content/view/25/103/lang,english/ >> ------------------------------------------------------------------ > > > _______________________________________________ > 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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