Dear all,
In some lattice, it is might be tricky to define pairs: I notices that some pairs are inevitably repeated when the program spans all the unit cells.
Is there any problems if some pairs are repeated twice ? Does Spirit will consider the repeated pairs twice or it will consider it just once ?
For simple cubic with one atom in the unit cell , there are 4 bonds for each atom (some will be repeated again when we sweep to the nearest unit cell) , I guess there is no problem in repeated bonds, please correct me if I am wrong.
There is another issue for a unit cell contains more than one atom, for instance for a hexagon lattice , there is two atoms in the unit cell , then the bond between atom 0 and atom 1 will be repeated again , is that a problem ?
There are many ways to set the system parameters: Python , cfg and graphical interface, that doesn't open the door for potential conflicts ? e.g. when one use cfg file and then change one of the system Hamiltonian either by python or by the graphical interface , which one the simulation will start with?
There is some doubts that the DMI vectors are not well defined , A honeycomb lattice has been built in Graphical interface, and then cfg file is saved, this is how it is automatically defined , although there is some doubts that it is wrong:
DMI vectors is not material invariants, they depends on the material:
DMI is aligned with z-axis in this paper: Chen, L. et al, P. Topological Spin Excitations in Honeycomb Ferromagnet CrI3.Phys. Rev. X2018,8, 041028.
DMI is like what is defined in the previous image , in this paper: spin-orbit coupling and magnetic interactions in Si(111):{C,Si,Sn,Pb}
Thus , I will be so grateful if you could verify
with nice regards
Dear all, In some lattice, it is might be tricky to define pairs: I notices that some pairs are inevitably repeated when the program spans all the unit cells.
Is there any problems if some pairs are repeated twice ? Does Spirit will consider the repeated pairs twice or it will consider it just once ?
For simple cubic with one atom in the unit cell , there are 4 bonds for each atom (some will be repeated again when we sweep to the nearest unit cell) , I guess there is no problem in repeated bonds, please correct me if I am wrong. There is another issue for a unit cell contains more than one atom, for instance for a hexagon lattice , there is two atoms in the unit cell , then the bond between atom 0 and atom 1 will be repeated again , is that a problem ?
There are many ways to set the system parameters: Python , cfg and graphical interface, that doesn't open the door for potential conflicts ? e.g. when one use cfg file and then change one of the system Hamiltonian either by python or by the graphical interface , which one the simulation will start with?
There is some doubts that the DMI vectors are not well defined , A honeycomb lattice has been built in Graphical interface, and then cfg file is saved, this is how it is automatically defined , although there is some doubts that it is wrong:
DMI vectors is not material invariants, they depends on the material:
Thus , I will be so grateful if you could verify with nice regards