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Sahar,
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<div class="">When you download QE, each set of binaries come with example files (complete with documented input files and bash scripts).</div>
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<div class="">~/Espresso/NEB/examples</div>
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<div class="">On May 14, 2018, at 2:08 PM, sahar mohammadi <<a href="mailto:saharmohammadi683@gmail.com" class="">saharmohammadi683@gmail.com</a>> wrote:</div>
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<div dir="ltr" class="">thanks
<div class="">but where I can find a tutorial to how I can modify the pw.x input file or how I can construct a file for transition state calculations?</div>
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<div class="gmail_quote">On 14 May 2018 at 10:56, William Joseph Ivan DeBenedetti
<span dir="ltr" class=""><<a href="mailto:wjd74@cornell.edu" target="_blank" class="">wjd74@cornell.edu</a>></span> wrote:<br class="">
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<div style="word-wrap:break-word;line-break:after-white-space" class="">Sahar,
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<div class=""><span style="background-color:rgb(255,255,255)" class=""><font color="#24292e" class="">There is this thing called "<a href="http://google.com/" target="_blank" class="">google.com</a>", it has this thing you can type things in, and you type “transition
states Quantum Espresso" and you press the "I'm feeling lucky" button, and you'll actually get a the Quantum Espresso homepage that lists two implementations of transition states and minimum energy paths.</font></span></div>
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<div class="">On May 14, 2018, at 1:46 PM, sahar mohammadi <<a href="mailto:saharmohammadi683@gmail.com" target="_blank" class="">saharmohammadi683@gmail.com</a>> wrote:</div>
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<div dir="ltr" class="">Hello Dear QE developers and users
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<div class="">I'm using quantum espresso for carbon monoxide adsorption and oxidation</div>
<div class="">I have done my calculations using relaxation of carbon monoxide over an oxidized material. I have calculated the adsorption energy but how I can calculate transition states and reaction path way?</div>
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<div class="">Regards</div>
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<div class="">Will DeBenedetti</div>
<div class="">Cornell University</div>
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<div class="">Will DeBenedetti</div>
<div class="">Cornell University</div>
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