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Compositions where one component has a fraction of identical zero are problematic in some methods. Apparently, the minimization works well (which I actually find surprising). However, calculating chem…
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Hello!
I'm Xue Baoshuai from the School of Materials Science of Kunming University of Technology. I'd like to ask you a question. How is the chemical potential difference between NiCrCo calc…
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Include two chemical potential interface to Skyrme EoS using the MultiDimensionalRoot solver.
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Hi developers,
First of all, I would like to thank the developers who released the CASM code. I recently wanted to do some research on disordered rocksalt using CASM code and have the following que…
ghost updated
2 years ago
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Dear CASM developers,
I tried running a GC LTE for my system. By specifying the param_chem_pot(a), the oxide configuration falls off the neutral configuration. I am wondering if by possibly specif…
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The title says it all, we need to add a chemical potential for the Hubbard fermion matrix.
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WHO T1 form has sections for exposure related to potential nosocomial transmission, water and food, and chemical exposures. Should data collection for these potential sources be added to the G.h schem…
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Dear developers,
I'm trying to repeat the example CSC calculation of LaNiO3. I find that though the dmft.x part works as well as in NCSC calculation, running vaspDMFT results in the follow errors:
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## Expected behavior
when calculating the chemical potential of ring molecules (e.g. the cyclohexane in the example folder) as a mixture of two identical components (e.g. species 1 - 200 molecules of…
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https://www.bleepingcomputer.com/news/security/chemical-facilities-warned-of-possible-data-theft-in-cisa-csat-breach/
"CISA is warning that its Chemical Security Assessment Tool (CSAT) environment …