Hi, In the AtomicCoordinatesAndAtomicSpecies block, you only have 32 atoms, but you declared that there are 94.
[]'s Camps Em sex., 21 de jul. de 2023 17:00, El-Abed Haidar < ehai2...@uni.sydney.edu.au> escreveu: > Good day all, > > I was wondering if anyone could help me understand why I got this error: > > > > *Error in specifying the type of an atom!. Atoms specified is above the > total number of atoms!* > > > > even though we have the same number of atoms and we only have carbon > atoms. Any thoughts? > > > > 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!XhHv02pSkOnAzSmlbfHr0_Oo03yvuaDXQeYlcPVtsiaQsWDK3NZwsS0QVqsmMbNNm6bowdtRh25VmCatnF7Vph83$> > |The > Australian National University > > 143 Ward Road, Acton, ACT 2601 > > M: +61 416625261 > > E: el-abed.hai...@anu.edu.au > > > > Want the latest *news* from NCI? > https://urldefense.com/v3/__http://nci.org.au/research-news/news/__;!!D9dNQwwGXtA!S_E3MGS_H2nGE-46GPpJDRARcDpIVPtAZNb348LBywNX9oUF0wrSHiDxUvUz9HIFrdHlMIjM4IKK$ > > <https://urldefense.com/v3/__http://nci.org.au/research-news/news/__;!!D9dNQwwGXtA!XhHv02pSkOnAzSmlbfHr0_Oo03yvuaDXQeYlcPVtsiaQsWDK3NZwsS0QVqsmMbNNm6bowdtRh25VmCatnCSr5kHi$> > > Find out more about NCI: YouTube > <https://urldefense.com/v3/__http://www.youtube.com/user/NCINationalFacility__;!!D9dNQwwGXtA!XhHv02pSkOnAzSmlbfHr0_Oo03yvuaDXQeYlcPVtsiaQsWDK3NZwsS0QVqsmMbNNm6bowdtRh25VmCatnOQrbhGV$> > / Facebook > <https://urldefense.com/v3/__https://www.facebook.com/NCIAustralia/__;!!D9dNQwwGXtA!XhHv02pSkOnAzSmlbfHr0_Oo03yvuaDXQeYlcPVtsiaQsWDK3NZwsS0QVqsmMbNNm6bowdtRh25VmCatnFcjEd9Z$> > / Twitter > <https://urldefense.com/v3/__https://twitter.com/NCInews__;!!D9dNQwwGXtA!XhHv02pSkOnAzSmlbfHr0_Oo03yvuaDXQeYlcPVtsiaQsWDK3NZwsS0QVqsmMbNNm6bowdtRh25VmCatnAxifpfL$> > / LinkedIn > <https://urldefense.com/v3/__https://www.linkedin.com/company/national-computational-infrastructure/__;!!D9dNQwwGXtA!XhHv02pSkOnAzSmlbfHr0_Oo03yvuaDXQeYlcPVtsiaQsWDK3NZwsS0QVqsmMbNNm6bowdtRh25VmCatnI4ZS95Q$> > > [image: NCI Australia logo black PNG transparent] [image: MHFAider > Accredited Digital Badge] > > > > -- > SIESTA is supported by the Spanish Research Agency (AEI) and by the > European H2020 MaX Centre of Excellence > (https://urldefense.com/v3/__http://www.max-centre.eu/__;!!D9dNQwwGXtA!S_E3MGS_H2nGE-46GPpJDRARcDpIVPtAZNb348LBywNX9oUF0wrSHiDxUvUz9HIFrdHlMMElTSjZ$ > ) >
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
