Wanli w3 flash file

You could add comments at the end of each line. Number of k points along the line is Nk1. The first line is the start point of the plane. The second and third line are the two vectors defining the plane. The number of k points for the 1st and 2nd vector is Nk1 and Nk2 respectively. The default values are. We can use these two vectors to calculate the band gap of a plane in 3D BZ, then we can check whether there are Weyl points or nodal line in that plane. Notice that these vectors is in unit of reciprocal vectors.

Default values are. We add another k vector to construct a k cube. The values list above are default values. This card is useful if you want to get some energy spectrum that only projected on some specific atoms.

For example, we can calculate the surface projected spin texture in the bulk system with vacuum. Those centres can be obtained from wannier The default values for this card are atomic positions. Now we have one testing version of phonon system, you can write to wuquansheng gmail. There are two steps for using WannierTools for phonon system.

This part was written by Changming Yue yuechangming8 at gmail. You can write email to him to get the source. You can change the name of it as whatever you want. After the generation of hrfile. You need another wt. The LO-TO splitting can be treated as a pertubation see phonopy. We need the following necessary CARDs in the wt. Take FeSi as an example. This file contains the TB parameters. Usually, it can be generated by Wannier Of cource, you can generate it from the Slater-Koster method or discretize k.

The format should like this. Installation of WannierTools Linux or Mac. Capabilities of WannierTools. Navigation next previous WannierTools 2. Preliminaries ». Main input file wt.

Here we introduce the wt. Direct or Cartisen coordinate Bi 0. Original point for 2D k plane 0. The first vector to define 2D k plane 0. Original point for 3D k plane 1.

The first vector to define 3d k space plane 0. The second vector to define 3d k space plane 0. The i'th band to be calculated 0. Note Package is very important if you use QE to generate your tight binding model.

Note 1. See doc for details 1 0 0 a11, a12, a13 0 1 0 a21 a22 a Note a11, a12, a13 …, a23 should be integers, in unit of three lattice vectors. Direct or Cartesian 0. The second vector to define 2D k plane for arc plots. Original point for 2D k plane 1. The second vector to define 3d k space plane. The third vector to define 3d k cube. Dielectric constant tensor Born charge tensor for each type of atom Sorry, we don't currently have any questions and answers for the Wanli Flash AP Why not submit a question to our tyre experts using the form below!

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