wannier_tools

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Hello, Dear Wu @quanshengwu When pull down the package git clone https://github.com/quanshengwu/wannier_tools.git And in the latest version, there may be some bugs in the "Find Nodes calculation". See below: in...

tlsong

Strange output crystal structure for a trigonal lattice

3

Hello everyone, I met with a problem in calculation the surface state of a trigonal system (SG. 166, R-3m), with the hr file from Quantum Espresso. I have attached the...

liliu910

Hello there, Does anybody aware of these observations for the latest version 2.6.2 or just my case: When I examine the WT.out file I found _strange values of lattice vectors...

daiqho

Hi, I did wannier calculation with wannier90 on the 2D hexagonal unit cell. By this computation we have produced hr.dat. After this step, we wish to look at the edge...

Nazari-Fariba

gfortran-mpi compilation error

2

Dear Developers, While compilling master-version for gfortran-mpi I got an error: wanniercenter_adaptive.o: In function `wcc_integrate_func_': /home/dmitry/nfs_sm/_prog_/wannier_tools-master/src/wanniercenter_adaptive.f90:849: undefined reference to `arpack_sparse_coo_eigs_' collect2: error: ld returned 1 exit status Makefile:36: recipe for...

dapshenay

Nodal line calculations

2

Hi experts, I am looking to find Nodal lines in my materials. I used Gap_bulk_plane and added a path for this. It gives me energy states of 4 conduction and...

bushra-lab

Nodal points outside the first Brillouin zone

3

Dear WannierTools developers, I am studying a nodal line semimetal and tried calculating the locations of nodes (`FindNodes_calc = T`). I used the same `KCUBE_BULK` given in the user guide,...

jkidd1

Hi experts, I am checking the charity of Weyl points, My question is what is a good size of mesh for checking Charality Calculations. BY changing mesh size charity is...

bushra-lab

Warning: You didn't specify the magnitude of magnetic field. (Weird)

1

I set the external magnetic field either Bx=0,By=0,Bz=0 or Bmagnitude=0, Btheta=0, and Bphi=0. But, it seems like they do not read the tags and set the 1T external magnetic field...

QuantumInformationGeneral

Hello, I am using vasp to wannier90 then wannier tool to Calculate topological properties so I have a problem like in the Gamma_A direction in DFT there is only one...

linton1995