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=0A=0A--- On Fri, 8/28/09, Jonas Baltrusaitis <jasius_1 at yahoo.com> wrote:=
=0A=0A> From: Jonas Baltrusaitis <jasius_1 at yahoo.com>=0A> Subject: Re: [Wie=
n] cif2struct creates an empty file=0A> To: "A Mailing list for WIEN2k user=
s" <wien at zeus.theochem.tuwien.ac.at>=0A> Date: Friday, August 28, 2009, 3:1=
7 PM=0A> yes so that's what confuses me right=0A> now. Can I repeat usercon=
fig at any time?=0A> =0A> --- On Fri, 8/28/09, Laurence Marks <L-marks at nort=
hwestern.edu>=0A> wrote:=0A> =0A> > From: Laurence Marks <L-marks at northwest=
ern.edu>=0A> > Subject: Re: [Wien] cif2struct creates an empty file=0A> > T=
o: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>=0A> =
> Date: Friday, August 28, 2009, 3:15 PM=0A> > Did you do userconfig to set=
up your=0A> > PATH variable etc?=0A> > =0A> > On Fri, Aug 28, 2009 at 4:56 =
PM, Jonas=0A> Baltrusaitis<jasius_1 at yahoo.com>=0A> > wrote:=0A> > > well, i=
t can't find cif2struct script... Might=0A> be=0A> > something wrong with e=
nvironmental settings, doesn't=0A> it?=0A> > >=0A> > > [jbaltrus at rs-003 mcg=
732]$ cif2struct mcg732.cif=0A> > > -bash: cif2struct: command not found=0A=
> > > [jbaltrus at rs-003 mcg732]$=0A> > >=0A> > >=0A> > > --- On Fri, 8/28/09=
, Laurence Marks <L-marks at northwestern.edu>=0A> > wrote:=0A> > >=0A> > >> F=
rom: Laurence Marks <L-marks at northwestern.edu>=0A> > >> Subject: Re: [Wien]=
 cif2struct creates an=0A> empty=0A> > file=0A> > >> To: "A Mailing list fo=
r WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>=0A> > >> Date: Friday, Au=
gust 28, 2009, 1:55 PM=0A> > >> Do it by hand at the terminal, e.g.=0A> > >=
> "cif2struct mcg732.cif" and see=0A> > >> what that gives. This does not s=
ound like=0A> problem=0A> > in the=0A> > >> configuration.=0A> > >>=0A> > >=
> On Fri, Aug 28, 2009 at 3:46 PM, Jonas=0A> > Baltrusaitis<jasius_1 at yahoo.=
com>=0A> > >> wrote:=0A> > >> > Hi,=0A> > >> >=0A> > >> > I just installed =
WIEN2k on the AMD64=0A> based=0A> > cluster,=0A> > >> went through userconf=
ig_lapw, started web=0A> > interface, trying=0A> > >> to create a case.=0A>=
 > >> >=0A> > >> > When I upload mcg732.cif file and=0A> execute=0A> > cif2=
struct,=0A> > >> it destroys mcg732.cif file and creates and=0A> empty=0A> =
> >> mcg732.outputcif2struct file. Web interface=0A> also=0A> > claims that=
=0A> > >> I have no mcg732.struct file yet.=0A> > >> >=0A> > >> > Admitting=
 that something went wrong in=0A> > configuration I=0A> > >> can;t quite fi=
gure out what and where. What=0A> should=0A> > I look=0A> > >> for to execu=
te cif2struct properly?=0A> > >> >=0A> > >> > thanks=0A> > >> >=0A> > >> > =
Jonas=0A> > >> >=0A> > >> >=0A> > >> >=0A> > >> >=0A> > ___________________=
____________________________=0A> > >> > Wien mailing list=0A> > >> > Wien at z=
eus.theochem.tuwien.ac.at=0A> > >> > http://zeus.theochem.tuwien.ac.at/mail=
man/listinfo/wien=0A> > >> >=0A> > >>=0A> > >>=0A> > >>=0A> > >> --=0A> > >=
> Laurence Marks=0A> > >> Department of Materials Science and=0A> Engineeri=
ng=0A> > >> MSE Rm 2036 Cook Hall=0A> > >> 2220 N Campus Drive=0A> > >> Nor=
thwestern University=0A> > >> Evanston, IL 60208, USA=0A> > >> Tel: (847) 4=
91-3996 Fax: (847) 491-7820=0A> > >> email: L-marks at northwestern dot edu=
=0A> > >> Web: www.numis.northwestern.edu=0A> > >> Chair, Commission on Ele=
ctron Crystallography=0A> of=0A> > IUCR=0A> > >> www.numis.northwestern.edu=
/=0A> > >> Electron crystallography is the branch of=0A> science=0A> > that=
 uses=0A> > >> electron=0A> > >> scattering to study the structure of matte=
r.=0A> > >>=0A> _______________________________________________=0A> > >> Wi=
en mailing list=0A> > >> Wien at zeus.theochem.tuwien.ac.at=0A> > >> http://ze=
us.theochem.tuwien.ac.at/mailman/listinfo/wien=0A> > >>=0A> > >=0A> > >=0A>=
 > >=0A> > > _______________________________________________=0A> > > Wien m=
ailing list=0A> > > Wien at zeus.theochem.tuwien.ac.at=0A> > > http://zeus.the=
ochem.tuwien.ac.at/mailman/listinfo/wien=0A> > >=0A> > =0A> > =0A> > =0A> >=
 -- =0A> > Laurence Marks=0A> > Department of Materials Science and Enginee=
ring=0A> > MSE Rm 2036 Cook Hall=0A> > 2220 N Campus Drive=0A> > Northweste=
rn University=0A> > Evanston, IL 60208, USA=0A> > Tel: (847) 491-3996 Fax: =
(847) 491-7820=0A> > email: L-marks at northwestern dot edu=0A> > Web: www.=
numis.northwestern.edu=0A> > Chair, Commission on Electron Crystallography =
of IUCR=0A> > www.numis.northwestern.edu/=0A> > Electron crystallography is=
 the branch of science that=0A> uses=0A> > electron=0A> > scattering to stu=
dy the structure of matter.=0A> > _________________________________________=
______=0A> > Wien mailing list=0A> > Wien at zeus.theochem.tuwien.ac.at=0A> > =
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien=0A> > =0A> =0A> =0A=
> =A0 =A0 =A0 =0A> =0A=0A=0A