Questions tagged [energy-conversion]
Questions related to energy conversion in systems such as solar cells.
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Confused About Convergence Values in Quantum ESPRESSO: Seeking Help with Unit Conversion
I'm using Quantum ESPRESSO in my calculations. And I'm a bit confused about the convergence for energy between two consecutive steps and the force allowed on each atom.
In my input file, I retained ...
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CP2K geometry optimization SCF takes 3000s for a step [closed]
I am new to CP2K and doing a geometry optimization for a cluster. At the beginning everything looks good, each SCF step takes about 13 seconds, the energy drops quickly and the convergence looks like ...
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Geometrical Optimization not converging for a double perovskite quantum dot, using Gaussian
I am trying to optimize the geometry of a Cs4CuSb2Cl12 Stoichiometric Quantum dot and I have checked the input multiple times, but the opt+freq calculation is not converging. The quantum dot has about ...
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Geometrical Optimization not converging, where am I going wrong?
I am trying to obtain the optical properties of ZnSe Quantum Dots, the problem is that my geometrical optimization is not converging. I used VESTA to create the structure(there is a photo in the ...
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What has caused this apparent stagnancy, in the development of more efficient solar cells?
The NREL solar cell efficiency chart tracks the efficiency of research-level photovoltaics since 1976, and the most up-to-date version is presented below (it was updated in April 2020).
3-J (3-...
