could read old density matrix data and continue scf as the DM.UseSaveDM inside siesta?
Date: 2024/04/11 16:33
Name: berlin
can we set openMX continue scf bese on an old-saved density matrix (or Hamiltonian)? Just like what does it inside siesta by `DM.UseSaveDM`.
I searched inside the openmx manual, however, not found.
Page: [1]
Re: could read old density matrix data and continue scf as the DM.UseSaveDM inside siesta?( No.1 )
Date: 2024/04/13 16:10
Name: Yung-Ting Lee
When the keyword 'scf.restart' is switched on, restart files (e.g. *_rst folder) will be used as the input Hamiltonian or charge density in the next calculation.
could read old density matrix data and continue scf as the DM.UseSaveDM inside siesta?
Re: could read old density matrix data and continue scf as the DM.UseSaveDM inside siesta?