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Although topological invariants have been introduced to classify theappearance of protected electronic states at surfaces of insulators, there areno corresponding indexes for Weyl semimetals whose nodal points may appearrandomly in the bulk Brillouin Zone (BZ). Here we use a well-known result thatevery Weyl point acts as a Dirac monopole and generates integer Berry flux tosearch for the monopoles on rectangular BZ grids that are commonly employed inself-consistent electronic structure calculations. The method resembles datamining technology of computer science and is demonstrated on locating the Weylpoints in known Weyl semimetals. It is subsequently used in high throughputscreening several hundreds of compounds and predicting a dozen new materialshosting nodal Weyl points and/or lines.

A Monopole Mining Method for High Throughput Screening Weyl Semimetals