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12:57 PM
0
Q: How to plot berry curvature flux by considering plane in momentum space?

UJMI want to plot the berry curvature flux by considering $k_x$ and $k_y$ plane in momentum space. I have experience running DFT calculations in Quantum ESPRESSO. I have tried reading the user manual of Wannier90 tool but didn't find any way to do this. The below image can be referred for more under...

 
 
7 hours later…
7:40 PM
0
Q: VASP Memory Estimate

Tristan MaxsonIs there any way to get a memory estimate for VASP calculations either directly or indirectly (based on some example calculation)? For example, I would like to be able to predict based on my settings how much memory is needed within about a GB per core.

 
 
4 hours later…
11:26 PM
0
Q: Nedd suggestion to find the ground state energy of an isolated atom

poonam sharmaI have some confusion to calculating the energy for the isolated atom (for constructing the input file): Should I need to change the lattice parameter of my unit cell or whatever I have for my unit cell I can keep that. Also let say I have 4 atoms of one type in my unit cell, so I can consider ...

 

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