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Kurz, Ph., Förster, F., Nordström, L., Bihlmayer, G. & Blügel, S. Ab initio treatment of noncollinear magnets with the full-potential linearized augmented plane wave method.
The band topology of X2YZ is explored by using full-potential linear augmented plane wave method.
The elastic wave method with hammering has been used for these tests so far.
Herring's orthogonalized plane wave method greatly advanced calculations in band structure, which is the range of electron energy that determines the properties of a solid material.
The results obtained agree well with those obtained by the standing wave method by earlier investigators.
All of the calculations, including geometry relaxation and electronic structure calculations, are performed using the projector augmented wave method with a plane-wave basis set as implemented in the Vienna ab initio simulation package (VASP) code37.
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Blöchl, P. E. Projector augmented-wave method.
Blöchl, P. E. et al. Projector augmented-wave method.
Kresse, G. & Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method.
Kresse, G. & Joubert, D., From ultrasoft pseudopotentials to the projector augmented-wave method.
The surface wave (S-wave) method has gained popularity in engineering practice for determining S-wave velocity depth profiles.
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