FPrith
FPrith
Is it possible to change the method of searching for band-edge positions in spin-polarized systems? My purpose is on the quick calculation of effective masses in various insulators including spin-polarized...
In my use of `effmass` in a command line, the detection of effective masses in an electronic band structure sometimes fails. My purpose in the use of `effmass` is the...
When the command "vise vs -t band" is entered, to my knowlege, the following message will be displayed: INFO: Numbers of kpoints are incremented to be even numbers. 1. What...
According to vise commands and “Commands for creating inputs” in Wiki, I tried evaluating the dielectric tensors in some insulating oxides. Some approximations for evaluating dielectric tensors were tried, including...
I have two questions on the plotting of chemical-potential diagrams (CPDs). (Question 1) For **unary** systems (**one-component** systems), what kind of the format of target_vertices.yaml files are required? I have...
When evaluating l,m-decomposed DOS plots for systems containing transition metals (e.g., Cr₂O₃, ScN, etc.), is it possible to group several d bands together, such as by separating the t₂g and...