[CPMD-list] RECPNEW| &ATOM SECTION NOT FOUND

[Juerg Hutter]

Hi

have you installed Version 3.5.3 from www.cpmd.org?

On Wed, 2 Oct 2002, Keta Jones wrote:

>
> Dear Prof Hutter,
> Thanks a lot for your quick reply.Though Vanderbilt
> produces Binary ouput I have converted it to human
> visible formatted file.I can read that file.Thats why
> I have not used "NEWF BINARY".Still respecting your
> advice I tryied it.But after trying I got the
> following message.
>
> PGFIO-F-217/unformatted read/unit=22/attempt to read
> past end of file.
> File name =/home/keta/cpmd/PP/O-ca--bm    unformatted,
> sequential access   record = 2
> In source file readvan.f, at line number 384
> [1]+  Exit 1                  ./h2o-vdw
>
> Would you please try to rectify this problem ?
>
> Keta
>
> --- Juerg Hutter <hutter at pci.unizh.ch> wrote:
> > Hi Keta
> >
> > your problem is that in the PP specification you
> > need the
> > additional keywords "NEWF BINARY"
> > >
> > > &ATOMS
> > > *O-ca--bm
> > >    LMAX=P
> > >    1
> > >    11.811 10.000 10.000   O
> >
> > Correct is
> >
> > *O-ca--bm NEWF BINARY
> >   LMAX=P
> >   1
> > ....
> >
> > Juerg
> >
> >
>
>
> =====
> Keta
> *********************************************************************************************************************
>
> __________________________________________________
> Do you Yahoo!?
> New DSL Internet Access from SBC & Yahoo!
> http://sbc.yahoo.com
>