<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:arial,helvetica,sans-serif;font-size:10pt">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.<br><br>I built the 2. Struct (using the information in your 4feoafm.struct) and now I do not appears any error.<br><br>I conclude that his case.struct is poorly constructed.<br><br>I send you herewith the case.struct who believes.<br><br>pardon my English<br><div> <br><br></div><span style="font-style: italic;">J. Camargo Martínez</span><br><span style="font-weight: bold;"><br></span><div><br></div><div style="font-family: arial,helvetica,sans-serif; font-size: 10pt;"><br><div style="font-family: arial,helvetica,sans-serif; font-size: 13px;"><font
face="Tahoma" size="2"><hr size="1"><b><span style="font-weight: bold;">De:</span></b> "vandao@urisan.tche.br" <vandao@urisan.tche.br><br><b><span style="font-weight: bold;">Para:</span></b> A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at><br><b><span style="font-weight: bold;">Enviado:</span></b> mié,15 junio, 2011 11:30<br><b><span style="font-weight: bold;">Asunto:</span></b> Re: [Wien] dstart<br></font><br><br>Dears<br><br><br><br>Sorry to bother you but the error is this: Attached the structure be used:<br><br><br><br><br>'DSTART' - can't open unit: 15<br> 'DSTART' - filename: 4feoafm.in2c<br> 'DSTART' - status: old form: formatted<br><br><br><br><br><br><br><br><br><br><br><br><br><br><br><br><br><br><br>>> When I try to run the following structure appears the error: Could<br>>> someone<br>>> help
me<br>><br>> Not really!<br>><br>> Did you READ the error mesage ???<br>><br>> You should understand that you are missing a file ...<br>><br>> does it exist ?<br>><br>> ls -als *.in*<br>><br>> check the list. Most likely you may find various teste.in* files, but not<br>> teste.in2 or teste.in2c<br>><br>> The struct file you attached is incomplete. It does not contain symmetry<br>> operations.<br>><br>> Did you use w2web to generate the structure ???<br>><br>> Did you run init_lapw (WITHOUT previous error messages ?????)<br>><br>><br>>><br>>><br>>><br>>> 'DSTART' - can't open unit: 15<br>>> 'DSTART' - filename: teste.in2c<br>>> 'DSTART' - status: old form: formatted<br>>><br>>><br>>><br>>>
Annex<br>>><br>>><br>>><br>>> _______________________________________________<br>>> Wien mailing list<br>>> <a ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br>>> <a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>><br>> --<br>> -----------------------------------------<br>> Peter Blaha<br>> Inst. Materials Chemistry, TU Vienna<br>> Getreidemarkt 9, A-1060 Vienna, Austria<br>> Tel: +43-1-5880115671<br>> Fax: +43-1-5880115698<br>> email: <a ymailto="mailto:pblaha@theochem.tuwien.ac.at" href="mailto:pblaha@theochem.tuwien.ac.at">pblaha@theochem.tuwien.ac.at</a><br>> -----------------------------------------<br>> _______________________________________________<br>> Wien mailing list<br>> <a
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