[Wien] phonon lapw error

Chandrika rcais at cal3.vsnl.net.in
Thu May 26 07:42:48 CEST 2005


Thank you Dr Blaha and Adlane for the help. I could do the conversions after
obtaining the program for dos2unix conversion. Wien can now read the file.
Chandrika

----- Original Message -----
From: "Peter Blaha" <pblaha at theochem.tuwien.ac.at>
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Sent: Wednesday, May 25, 2005 4:50 PM
Subject: Re: [Wien] phonon lapw error


> No, you do not need any other program.
>
> However, make sure that you transfered the file in ASCII mode. Text files
> have a different encoding under Windows and Linux and need to be
converted.
> The ASCII ftp does this for you, or you may try the dos2unix utility.
>
> > I am trying to run init_phonon_lapw using a supercell file (.d45)
created by the software Phonon I transferred the file to Wien and then
directly used the init_phonon_lapw command. But I got an error message that
says "forrtl : severe (59) : list-directed I/O syntax error, unit 20,
file/...path"
> > Do I need to modify the .d45 file or run some other command prior to
init_phonon_lapw?
> > Thanks for your help.
> > Chandrika
> >
>
>
>                                       P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
> Email: blaha at theochem.tuwien.ac.at    WWW:
http://info.tuwien.ac.at/theochem/
> --------------------------------------------------------------------------
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