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Questions related from Sharad Kumar Upadhyay
Hi, I want to calculate the phase change energy from solid to liquid, for example, water. For this, potential energy vs. temperature needs to be plotted, if I am not wrong. If yes, please correct...
01 July 2025 1,034 3 View
Dear All, I use Quantum Espresso. I want to optimize the structure of the carbon nanotube using the vc-relax. I got confused about how to fix cell_dofree here. For 3D, cell_dofree = 'all' or...
23 July 2024 5,926 0 View
I am trying to plot using the attached file data file, "wan_band.dat". In the past, I also found the same error. But somehow it was resolved automatically. Again, I stuck with it. I am not able to...
10 April 2024 4,796 1 View
With respect to all, I am workin in bilayer system seperated by a barriere for getting resistivity. I have a confusion in equation of effective dielectric function. In no of articles i have seen...
29 August 2019 3,451 0 View
I have working on momentum transfer between bi-layer system. In articles I have seen figure of phase space between function with respect to momentum vector transfer (q). I have confusion that, in...
29 April 2019 5,298 0 View
I need to know about the material to use as a medium or spacer between GaAlAs/GaAlAs layers and for GaAlAs/GaAs heterostructure. How would I make the selection of the spacer material for these...
25 April 2019 4,518 3 View
