I did that and now it says Erroneous electrode setup, check out-put On Sat, Aug 5, 2023 at 3:00 PM Nick Papior <nickpap...@gmail.com> wrote:
> You are requesting the last electrode to start at the last atom, thus > resulting in requesting non-existing atoms. It should be "elec-pos end -1". > > Den fre. 4. aug. 2023 kl. 22.00 skrev El-Abed Haidar < > ehai2...@uni.sydney.edu.au>: > >> Good evening all, >> >> I am studying a graphene system and would like to know why am I getting >> this error. >> >> The siesta calculations for both left and right electrodes were correctly >> done as shown in left.out and right.out. >> >> However when I tried: >> >> >> >> siesta -fdf TS.Analyze *fdf > analyze.out >> >> I get this error which implies that the number of atoms I have is above >> 94 which is not the case. I have 32 on the left, 30 in the middle and 32 on >> the right. So, I was wondering what could this error mean? >> >> >> >> Thank you! Hope to hear from you soon! >> >> Cheers, >> >> EL-Abed >> >> >> >> *EL-ABED HAIDAR * >> >> |Doctor of Philosophy (Science) |THE UNIVERSITY OF SYDNEY | NSW | 2006 >> >> Current Staff Scientist |NCI Australia >> <https://urldefense.com/v3/__http://www.nci.org.au/__;!!D9dNQwwGXtA!W1evlf2oRwBdWMVwcIV6nCPfS-0AzJkckY6ikH6Y_tmY-w2LaXlj2F-mziRftp9IGLI2CJcrHdnrOvaJfxQBAqBB$> >> |The >> Australian National University >> >> 143 Ward Road, Acton, ACT 2601 >> >> M: +61 416625261 >> >> E: el-abed.hai...@anu.edu.au >> >> >> >> Want the latest *news* from NCI? >> https://urldefense.com/v3/__http://nci.org.au/research-news/news/__;!!D9dNQwwGXtA!WJJL7yHcot6DEWDswSP7PMvjjcf7KVHlMl148_9F7SVdiJXjHDb3_VQm-VNqZ0E-NVIgLsbf-cAnQtFb$ >> >> <https://urldefense.com/v3/__http://nci.org.au/research-news/news/__;!!D9dNQwwGXtA!W1evlf2oRwBdWMVwcIV6nCPfS-0AzJkckY6ikH6Y_tmY-w2LaXlj2F-mziRftp9IGLI2CJcrHdnrOvaJf0zfkui_$> >> >> Find out more about NCI: YouTube >> <https://urldefense.com/v3/__http://www.youtube.com/user/NCINationalFacility__;!!D9dNQwwGXtA!W1evlf2oRwBdWMVwcIV6nCPfS-0AzJkckY6ikH6Y_tmY-w2LaXlj2F-mziRftp9IGLI2CJcrHdnrOvaJf1C-QPAI$> >> / Facebook >> <https://urldefense.com/v3/__https://www.facebook.com/NCIAustralia/__;!!D9dNQwwGXtA!W1evlf2oRwBdWMVwcIV6nCPfS-0AzJkckY6ikH6Y_tmY-w2LaXlj2F-mziRftp9IGLI2CJcrHdnrOvaJf-vEEIXL$> >> / Twitter >> <https://urldefense.com/v3/__https://twitter.com/NCInews__;!!D9dNQwwGXtA!W1evlf2oRwBdWMVwcIV6nCPfS-0AzJkckY6ikH6Y_tmY-w2LaXlj2F-mziRftp9IGLI2CJcrHdnrOvaJf_lnthcv$> >> / LinkedIn >> <https://urldefense.com/v3/__https://www.linkedin.com/company/national-computational-infrastructure/__;!!D9dNQwwGXtA!W1evlf2oRwBdWMVwcIV6nCPfS-0AzJkckY6ikH6Y_tmY-w2LaXlj2F-mziRftp9IGLI2CJcrHdnrOvaJf_O2nxex$> >> >> [image: NCI Australia logo black PNG transparent] [image: MHFAider >> Accredited Digital Badge] >> >> >> >> -- >> SIESTA is supported by the Spanish Research Agency (AEI) and by the >> European H2020 MaX Centre of Excellence >> (https://urldefense.com/v3/__http://www.max-centre.eu/__;!!D9dNQwwGXtA!WJJL7yHcot6DEWDswSP7PMvjjcf7KVHlMl148_9F7SVdiJXjHDb3_VQm-VNqZ0E-NVIgLsbf-ShsaNZd$ >> >> <https://urldefense.com/v3/__http://www.max-centre.eu/__;!!D9dNQwwGXtA!X3juCGdJaxJtX21sGPeUOJLpj6jKFPjn472aGE9RQbQew2Udyt5l1Xp5C4exiBR3Zn5_ZhrYDuT5-ukqwA$> >> ) >> > > > -- > Kind regards Nick > > -- > SIESTA is supported by the Spanish Research Agency (AEI) and by the > European H2020 MaX Centre of Excellence > (https://urldefense.com/v3/__http://www.max-centre.eu/__;!!D9dNQwwGXtA!WJJL7yHcot6DEWDswSP7PMvjjcf7KVHlMl148_9F7SVdiJXjHDb3_VQm-VNqZ0E-NVIgLsbf-ShsaNZd$ > ) > -- *Disclaimer: *This email and any files transmitted with it are confidential and intended solely for the use of the individual or entity to whom they are addressed. If you have received this email in error please notify the system manager. This message contains confidential information and is intended only for the individual named. If you are not the named addressee you should not disseminate, distribute or copy this e-mail. Please notify the sender immediately by e-mail if you have received this e-mail by mistake and delete this e-mail from your system. If you are not the intended recipient you are notified that disclosing, copying, distributing or taking any action in reliance on the contents of this information is strictly prohibited.
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
