The OS is Linux and the script is in English. *Thanks & Regards* *Karina Khan*
On Fri, 14 Jul 2023 at 16:50, Laurence Marks <laurence.ma...@gmail.com> wrote: > I think Peter was clear. Wien2k works. > > The term "System Error" is exactly that, some error with your operating > system. Often these are caused by a user error, although it could be > something else. > > Try changing the name so it is shorter, and check your disk space. What OS > are you using - Linux, Mac - and is it set to English or some other script? > > --- > Professor Laurence Marks (Laurie) > Department of Materials Science and Engineering > Northwestern University > www.numis.northwestern.edu > "Research is to see what everybody else has seen, and to think what nobody > else has thought" Albert Szent-Györgyi > > On Fri, Jul 14, 2023, 05:59 karina Khan <karinakhan...@gmail.com> wrote: > >> Ok I will keep this thing in my mind for future >> This command works well with different systems like Cs2AgInBr6, BP but >> not with system having molecular formula C24H72N8In2Br14 and C16H20O7 >> >> On Thu, 13 Jul, 2023, 8:34 PM Peter Blaha, <peter.bl...@tuwien.ac.at> >> wrote: >> >>> I cannot reproduce this. It works perfectly fine with me. >>> >>> Please try again in another case. Or use the recommended fast mode. This >>> will set automatically good parameters in case.in0/1/2 and klist, and not >>> the "stupid" defaults of the step by step initialization. >>> >>> PS: You cannot send large images to the mailing list. There is a limit >>> of 40 kB per message. >>> >>> >>> Am 13.07.2023 um 11:48 schrieb karina Khan: >>> >>> Dear Wien2k users, >>> During initialisation, I stuck up in the step *view >>> case.outpd and cp case.in0_std case.in0, *when I click on the step save >>> and initlapw, I get a *System Error couldn't write to/. * back to last >>> page. >>> However this step is working for the other sample but not for this new >>> sample having 32 atoms. >>> Looking for your suggestions >>> *Thanks & Regards* >>> *Karina Khan* >>> >>> >>> _______________________________________________ >>> Wien mailing >>> listw...@zeus.theochem.tuwien.ac.athttp://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 >>> >>> -- >>> ----------------------------------------------------------------------- >>> Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna >>> Phone: +43-158801165300 >>> Email: peter.bl...@tuwien.ac.at >>> WWW: http://www.imc.tuwien.ac.at WIEN2k: http://www.wien2k.at >>> ------------------------------------------------------------------------- >>> >>> _______________________________________________ >>> 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 >>> >> _______________________________________________ >> 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 >> > _______________________________________________ > 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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