
Number of atoms in cif file and PDFgui are not matching
May 5, 2025 · As a result of aliovalent substitution, the number of Li atoms increases in the substituted samples compared to the pristine one. For some composition the number of Li …
NIF/CIF What are these? - Google Groups
Jan 17, 2008 · They are fiscal identification numbers. NIF = Número de Identificación Fiscal (for individuals) CIF = Certificado de Identificación Fiscal (for companies) It's a Spanish thing ;-) If …
Wrong number of atoms when reading from .cif file (corundum …
Apr 25, 2019 · I am trying to read a .cif file obtained from AMS, however am getting too many atoms in the unit cell. For some .cif files such as 'diaspore.cif' I am able to get the correct …
Removing atoms repeated on periodic boundaries - Google Groups
Jan 15, 2021 · The number of atoms drawn will be reported in the text area. If every atom is displayed exactly once the number at atoms reported in the text box will match the number of …
A gathering place for the Open Rail Data community
The openraildata-talk forum is a meeting place for anyone who is working with, or interested in working with, data about the railway in Great Britain.
Serial Number City Car Driving 1.5.0 - Google Groups
Nov 29, 2023 · Finding the serial number for City Car Driving 1.5.0 online can be tricky and risky if you use unreliable sources. The best way to get a genuine serial number is to contact the …
FLAIR error - Google Groups
Jul 11, 2019 · The CIN no. is correct as per MCA records and PAN is also correct as per I.T. database.
TiO2 slab not converging - Google Groups
Jun 28, 2023 · I noticed that by switching the order of the lines "_atom_site_type_symbol" and "_atom_site_label" in the CIF (see 3mppa-ase-edited.cif) CP2K could correctly read in the CIF …
diffpy-users - Google Groups
Number of atoms in cif file and PDFgui are not matching & Finding coherence length May 6 Tomasz Stawski, Simon Billinge 2
GEOMETRY wrong or EMAX_SPLINE too small! - Google Groups
Jul 17, 2015 · *** GEOMETRY wrong or EMAX_SPLINE too small! *** *** Program stopped at line number 654 of MODULE fist_neighbor_lists *** The distance that CP2K is complaining about …