When I worked in a computational materials research group, I had to run Nudged Elastic Band simulations. Finding tutorials and/or templates for this on VASP were pretty diffuicult. I decided to put ...
I am encountering an issue where the band structure plotted from wannier90_band.dat (using the standard Wannier90 output scripts) does not match the band structure obtained by reconstructing the ...
Istituto Officina dei Materiali (IOM)−CNR, Laboratorio TASC, Area Science Park, S.S.14, km 163.5, I-34149 Trieste, Italy ...
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