[QE-users] [SUSPECTED SPAM-Ironport] Geometry of Transition state

[PARISA ALAMDARI]

Dear Giuseppe,
Thank you so much for your guide.
BR,
Parisa

On Thu, 17/01/2019 10:37 AM, Giuseppe Mattioli <giuseppe.mattioli at ism.cnr.it> wrote:
> 
Dear Parisa
> You can use CI-NEB. Look into the documentation of the neb.x code and examples
> HTH
> Giuseppe
> 
> PARISA ALAMDARI " target="_blank"><p.alamdari at aut.ac.ir> ha scritto:
> 
> > ​Dear QS users,
> > I used constraint calulation using pw.x to find transition state in  
> > a reaction. Is there any way to maximize the energy of  this  
> > estimated TS?
> > Thanks for your guides,
> > Best Regards,
> > Parisa
> > AUT, Iran
> >
> > --
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> 
> 
> 
> GIUSEPPE MATTIOLI
> CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
> Via Salaria Km 29,300 - C.P. 10
> I-00015 - Monterotondo Scalo (RM)
> Mob (*preferred*) +39 373 7305625
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> E-mail: " target="_blank"><giuseppe.mattioli at ism.cnr.it>
> 
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