Indeed, by using their 4feoafm.struct this error appears when running dstart. But I think you are ignoring a warning in lstart (invalid atomic configuration) and a Warning (WARNING: Specified Element 'go' not RHFS), this can be seen in case.outputst.
I built the 2. Struct (using the information in your 4feoafm.struct) and now I do not appears any error. I conclude that his case.struct is poorly constructed. I send you herewith the case.struct who believes. pardon my English J. Camargo Mart?nez ________________________________ De: "vandao at urisan.tche.br" <vandao at urisan.tche.br> Para: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> Enviado: mi?,15 junio, 2011 11:30 Asunto: Re: [Wien] dstart Dears Sorry to bother you but the error is this: Attached the structure be used: 'DSTART' - can't open unit: 15 'DSTART' - filename: 4feoafm.in2c 'DSTART' - status: old form: formatted >> When I try to run the following structure appears the error: Could >> someone >> help me > > Not really! > > Did you READ the error mesage ??? > > You should understand that you are missing a file ... > > does it exist ? > > ls -als *.in* > > check the list. Most likely you may find various teste.in* files, but not > teste.in2 or teste.in2c > > The struct file you attached is incomplete. It does not contain symmetry > operations. > > Did you use w2web to generate the structure ??? > > Did you run init_lapw (WITHOUT previous error messages ?????) > > >> >> >> >> 'DSTART' - can't open unit: 15 >> 'DSTART' - filename: teste.in2c >> 'DSTART' - status: old form: formatted >> >> >> >> Annex >> >> >> >> _______________________________________________ >> Wien mailing list >> Wien at zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > -- > ----------------------------------------- > Peter Blaha > Inst. Materials Chemistry, TU Vienna > Getreidemarkt 9, A-1060 Vienna, Austria > Tel: +43-1-5880115671 > Fax: +43-1-5880115698 > email: pblaha at theochem.tuwien.ac.at > ----------------------------------------- > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110615/6a3c1d2b/attachment.htm> -------------- next part -------------- A non-text attachment was scrubbed... Name: 2.struct Type: application/octet-stream Size: 4120 bytes Desc: not available URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110615/6a3c1d2b/attachment.dll>