[ase-users] neb calculation with ASE + PWSCF (Otto Kohul?k)

[Elham]

Dear  Kohul?k

Thanks so much.

Is neb calculation with ASE  and PWSCF is different from neb calculation
with just PWSCF?

I cant link ASE with PWSCF for neb calculation.

I totally problem with neb calculation with pwscf . I cant find TS for
reaction

I test some number of ways alot but dont convergence in neb calculation wit
out climbing image.

If anyone can help for Neb calculation with pwscf or pwscf+ASE

Please share your experience with me

Best Regrads
*Elham*

On Fri, Mar 4, 2016 at 2:30 PM, <ase-users-request at listserv.fysik.dtu.dk>
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>    1. neb calculation with ASE + PWSCF (Elham)
>    2. Re: neb calculation with ASE + PWSCF (Otto Kohul?k)
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> Message: 1
> Date: Thu, 3 Mar 2016 19:10:14 +0330
> From: Elham <e.chemistry83 at gmail.com>
> To: ase-users at listserv.fysik.dtu.dk
> Subject: [ase-users] neb calculation with ASE + PWSCF
> Message-ID:
>         <CAMCFADREXRxnk72vb1uqrmFmidV=
> i+OFuYd-zkyabpfy28YvRQ at mail.gmail.com>
> Content-Type: text/plain; charset="utf-8"
>
> Dear  ASE users,
>
> Any of this group work with nab calculation with ASE and PWSCF?
>
> Thanks so much
>
> Elham Ashuri
> Ph.D. student of Physical Chemistry
> Institute for Advanced Studies in Basic Sciences (IASBS)
>
> IRAN
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> Message: 2
> Date: Thu, 3 Mar 2016 17:37:40 +0100
> From: Otto Kohul?k <pravod at gmail.com>
> To: Elham <e.chemistry83 at gmail.com>
> Cc: ase-users at listserv.fysik.dtu.dk
> Subject: Re: [ase-users] neb calculation with ASE + PWSCF
> Message-ID:
>         <CAK=
> Gx5j6sVaJTyE3nYKP2A9xDHL7k6FGfHacioaHh+xmr+AmEw at mail.gmail.com>
> Content-Type: text/plain; charset="utf-8"
>
> Hello Elham,
>
> I did some NEB calculations via ASE with PWSCF,
>
> what seems to be the problem
>
> Otto Kohul?k
>
> 2016-03-03 16:40 GMT+01:00 Elham <e.chemistry83 at gmail.com>:
>
> > Dear  ASE users,
> >
> > Any of this group work with nab calculation with ASE and PWSCF?
> >
> > Thanks so much
> >
> > Elham Ashuri
> > Ph.D. student of Physical Chemistry
> > Institute for Advanced Studies in Basic Sciences (IASBS)
> >
> > IRAN
> >
> >
> > _______________________________________________
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