<html><head><style id="axi-htmleditor-style" type="text/css">p { margin: 0px; }</style></head><body dir="" style="font-size: 10pt; font-family: "Source Sans Pro", sans-serif; background-image: none; background-repeat: repeat; background-attachment: fixed;"><div>Dear Giuseppe,</div><div>Thank you so much for your guide.</div><div>BR,</div><div>Parisa<br></div><!--axi-signature_placeholder--><br>On Thu, 17/01/2019 10:37 AM, Giuseppe Mattioli <giuseppe.mattioli@ism.cnr.it> wrote:<br><blockquote style="margin-left: 10px; padding-left: 10px; border-left: 1px solid #ccc;"><div style="font-family: " source="" sans="" pro",="" sans-serif;="" font-size:="" 10pt;"="">Dear Parisa<br>You can use CI-NEB. Look into the documentation of the neb.x code and examples<br>HTH<br>Giuseppe<br><br>PARISA ALAMDARI <a href="mailto:<p.alamdari@aut.ac.ir>" target="_blank"><p.alamdari@aut.ac.ir></a> ha scritto:<br><br>> Dear QS users,<br>> I used constraint calulation using pw.x to find transition state in <br>> a reaction. Is there any way to maximize the energy of this <br>> estimated TS?<br>> Thanks for your guides,<br>> Best Regards,<br>> Parisa<br>> AUT, Iran<br>><br>> --<br>> This email was Anti Virus checked by Security Gateway.<br><br><br><br>GIUSEPPE MATTIOLI<br>CNR - ISTITUTO DI STRUTTURA DELLA MATERIA<br>Via Salaria Km 29,300 - C.P. 10<br>I-00015 - Monterotondo Scalo (RM)<br>Mob (*preferred*) +39 373 7305625<br>Tel + 39 06 90672342 - Fax +39 06 90672316<br>E-mail: <a href="mailto:<giuseppe.mattioli@ism.cnr.it>" target="_blank"><giuseppe.mattioli@ism.cnr.it></a><br><br>_______________________________________________<br>users mailing list<br><a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br><a href="https://lists.quantum-espresso.org/mailman/listinfo/users" data-saferedirecturl="redir.hsp?url=%68%74%74%70%73%3A%2F%2F%6C%69%73%74%73%2E%71%75%61%6E%74%75%6D%2D%65%73%70%72%65%73%73%6F%2E%6F%72%67%2F%6D%61%69%6C%6D%61%6E%2F%6C%69%73%74%69%6E%66%6F%2F%75%73%65%72%73" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a><br><font color="#999999">--<br>This email was Anti Virus checked by Security Gateway.<br></font></div></blockquote></body></html>