[Pw_forum] FW: Jmol and J-ICE can deal with quantumEspresso

[pieremanuele canepa]

Dear Vega,

use the developer version.

You right about the error in the first geometry. I will fix it.

if you want NEB implemented in Jmol send me some outputs.


all the best, Piero


On Tue, Feb 22, 2011 at 3:23 AM, P.Canepa <pc229 at kent.ac.uk> wrote:

>
> -------------------------------------------
> From: pw_forum-bounces at pwscf.org on behalf of vega lew[
> SMTP:QUANTUMDFT at GMAIL.COM]
> Sent: Tuesday, February 22, 2011 3:22:52 AM
> To: PWSCF Forum
> Subject: Re: [Pw_forum] Jmol and J-ICE can deal with quantumEspresso
> Auto forwarded by a Rule I find the Jmol program inside the J-ICE folder
> could directly read the output file from Q-E.
>
> However, the program (Jmol-12.0.33-binary) downloaded from
> http://jmol.sourceforge.net/ did not.
>
>
> vega
>
> On 02/21/11 21:37, pieremanuele canepa wrote:
>
> Dear QuantumEspresso users,
>
> I am glad to announce you that Jmol(http://jmol.sourceforge.net/) as well
> my personal Jmol (interface: J-ICE (http://j-ice.sourceforge.net/)
> can read quantumESPRESSO outputs.
>
> Now we can read simple geometry from SCF job and  geometry optimization
> tasks.   The phonon part is still work in progress.
> As a Jmol developer (and quanumEspresso users) I kindly ask you to provide
> me more phonon tests you might have
> (not those available in the example folder).
>
> Bests, Piero
>
> --
> *Please consider the environment before printing this e-mail.*
>
> Pieremanuele Canepa
> Room 104
> Functional Material Group
> School of Physical Sciences, Ingram Building,
> University of Kent, Canterbury, Kent,
> CT2 7NH
> United Kingdom
>
> e-mail: pc229 at kent.ac.uk
> mobile: +44 (0) 7772-9756456
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>
>
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>
> --
>
> ================================================
> Vega Lew ( weijia liu)
> Graduate student
> State Key Laboratory of Materials-oriented Chemical Engineering
> Nanjing University of Technology, 210009, Nanjing, China
> ***************************************************************
> Email: vegalew at gmail.com
> Office: Room A705, Technical Innovation Building,
> Xinmofan Road 5#, Nanjing, China
> ***************************************************************
>



-- 
*Please consider the environment before printing this e-mail.*
**
Pieremanuele Canepa
Room 104
Functional Material Group
School of Physical Sciences, Ingram Building,
University of Kent, Canterbury, Kent,
CT2 7NH
United Kingdom

e-mail: pc229 at kent.ac.uk
mobile: +44 (0) 7772-9756456
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