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- From: "matthieu verstraete" <matthieu.jean.verstraete@gmail.com>
- To: forum@abinit.org
- Subject: Re: Re: [abinit-forum] mrggkk error in el-phon calculation
- Date: Wed, 3 Dec 2008 16:19:23 +0100
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PS: regarding Zhenhua Zeng's comment, it is no longer (5.6 version) necessary to delete the bin file before creating a new one. The old one is squashed.
On Wed, Dec 3, 2008 at 4:18 PM, matthieu verstraete <matthieu.jean.verstraete@gmail.com> wrote:
The mrggkk input is well described in the tutorial web pages
http://www.abinit.org/Infos_v5.6/tutorial/lesson_elphon.html#E3
If it is complaining about the 1WF file, it has produced an error trying to open it. The file is probably absent or corrupt. The "new" qualifier is incorrect: the file is being opened as "old", so it must be present.
Matthieu--On Mon, Dec 1, 2008 at 9:21 AM, <watermall@126.com> wrote:
Thank you for your reply.
The error remains after remove the telphon_3o_GKK.bin.
I searched abinit website, but I could not find the discriptions for mrggkk
routine. Maybe I should change telphon_3.in. Can anybody give me some
instruction to understant mrggkk?
Thank you in advance.
Cheng YC
Nanjing University
China
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Dr. Matthieu Verstraete
European Theoretical Spectroscopy Facility (ETSF)
Dpto. Fisica de Materiales,
U. del Pais Vasco,
Centro Joxe Mari Korta, Av. de Tolosa, 72, Phone: +34-943018393
E-20018 Donostia-San Sebastian, Spain Fax : +34-943018390
Mail : matthieu.jean.verstraete@gmail.com
http://www-users.york.ac.uk/~mjv500
--
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Dr. Matthieu Verstraete
European Theoretical Spectroscopy Facility (ETSF)
Dpto. Fisica de Materiales,
U. del Pais Vasco,
Centro Joxe Mari Korta, Av. de Tolosa, 72, Phone: +34-943018393
E-20018 Donostia-San Sebastian, Spain Fax : +34-943018390
Mail : matthieu.jean.verstraete@gmail.com
http://www-users.york.ac.uk/~mjv500
- Re: [abinit-forum] mrggkk error in el-phon calculation, Zhenhua Zeng, 12/01/2008
- Re: Re: [abinit-forum] mrggkk error in el-phon calculation, watermall, 12/01/2008
- Re: Re: [abinit-forum] mrggkk error in el-phon calculation, matthieu verstraete, 12/03/2008
- Re: Re: [abinit-forum] mrggkk error in el-phon calculation, matthieu verstraete, 12/03/2008
- Re: Re: [abinit-forum] mrggkk error in el-phon calculation, matthieu verstraete, 12/03/2008
- Re: Re: [abinit-forum] mrggkk error in el-phon calculation, watermall, 12/01/2008
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