Nick Papior

Results 600 comments of Nick Papior

Perhaps there are other places: ``` ~/codes/sisl/src % grep "nsc > 1" **/*.py main sisl/_core/geometry.py: axes = (self.lattice.nsc > 1).nonzero()[0] sisl/_core/geometry.py: elif np.any(self.nsc > 1): sisl/_core/geometry.py: periodic system (where ``self.nsc...

> Even more so because `nsc` is many times [1,1,1] because it is simply unset, but we know that there is periodicity. For example when a geometry is read from...

> One thing that sill 'bothers' me, is that I am not 100% certain of the units of the eigenmodes stored by Vibra. I think it should be in Bohr....

Now all we need are tests ;) And if you could install `pre-commit` it would make it check the code, see here https://github.com/zerothi/sisl/blob/main/CONTRIBUTING.md#we-develop-with-github for how to use it. According to...

> > One thing that sill 'bothers' me, is that I am not 100% certain of the units of the eigenmodes stored by Vibra. I think it should be in...

> > > > One thing that sill 'bothers' me, is that I am not 100% certain of the units of the eigenmodes stored by Vibra. I think it should...

> > > > > One thing that sill 'bothers' me, is that I am not 100% certain of the units of the eigenmodes stored by Vibra. I think it...

> Related to the discussion on the phase of the eigenvectors in vibra. Do we need to change the gauge when reading, to be consistent with the phonon modes obtained...

> > Related to the discussion on the phase of the eigenvectors in vibra. Do we need to change the gauge when reading, to be consistent with the phonon modes...