Convert .cif to quantum espresso input • Physics Forums

Mohammad-gl · 2023-07-16T11:55:31+00:00

Hello, I'm calculating the density of states for Li2CuO2. I generated the .cif file from materialsproject and convert it to the quantum espresso using materialscloud.org. There are many options when I want to convert the .cif file such as magnetic or non-magnetic material and etc. Which options should I choose to make a correct quantum espresso input for Li2CuO2?

Thread 'Stability of persistent currents in superconductors regardless of temperature'

From the BCS theory of superconductivity is well known that the superfluid density smoothly decreases with increasing temperature. Annihilated superfluid carriers become normal and lose their momenta on lattice atoms. So if we induce a persistent supercurrent in a ring below Tc and after that slowly increase the temperature, we must observe a decrease in the actual supercurrent, because the density of electron pairs and total supercurrent momentum decrease. However, this supercurrent...

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A Convert .cif to quantum espresso input

Thread 'Stability of persistent currents in superconductors regardless of temperature'

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