[QE-users] Geometry of Transition state
PARISA ALAMDARI
p.alamdari at aut.ac.ir
Thu Jan 17 10:27:58 CET 2019
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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