# Questions tagged [metals]

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### Continuous Coordination Number Definition

I am interesting in quantifying the coordination number of some atoms in metals and am curious what approaches to defining a coordination number are possible for an atom. In particular, I am curious ...
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### Are there any available tools to implement Jellium models?

I want to solve a Jellium-DFT like problem. Does any of the self-consistent/DFT software packages available allow to solve for the case of a Jellium configuration (no lattice)? If not I would like to ...
• 213
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### "Failed" running DDEC6 Atomic Charge when using Palladium (Pd) cluster model

I have a problem with running DDEC6 when I used Palladium (Pd) cluster, the main issue was that there were no DDEC6_even_templered_net_atomic_charges.xyz files came ...
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### Smearing values for different codes

I am using Quantum Espresso along with a different code, I am performing calculations on Platinum bulk. After choosing the "cold" smearing (which I read is a good choice for metals) with a ...
• 871
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### Is there any specific name for non-ferrous metals which are not noble metals?

In German there is the name "Buntmetalle" which means "colorful metals" for non-ferrous metals which are also not noble metals: Cadmium (Cd), Cobalt (Co), Copper (Cu), Nickel (Ni),...
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### Can the color of gold metal be reproduced by modeling only the conduction electron band structure, or do atomic absorption lines contribute?

@JohnCuster's answer to Why is gold golden? is based on the band structure of the delocalized conduction electrons in gold, whereas other answers there tend to support the "Gold is gold due to ...
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