When trying to do ab initio fits of a material it's best to determine the actual crystal structure and generate an ATOMS input file from that. CeO2 structure: http://cst-www.nrl.navy.mil/lattice/struk/c1.html -Jason mohamed sobhy wrote:
Dear I am trying to simulate CeO2 crystal lattice but I found that in Artemis documentations the following
*Currently the following coordination geomatries are available:* ** 4-coordinate crystal* ** 6-coordinate crystal* ** octahedral molecule* ** tetrahedral molecule* ** square-planar molecule* ** CeO2 has coordination no of 8, so what is the meaning of that
Also is there any manual or working examples for Artemis
Thnaks
Mohamed
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