big update

2020-08-24 16:54:16 +02:00
parent 8108063f47
commit e8fb7c7ece
1639 changed files with 223375 additions and 57942 deletions
--- a/examples/USER/phonon/dynamical_matrix_command/python/dynmat.py
+++ b/examples/USER/phonon/dynamical_matrix_command/python/dynmat.py
@ -38,5 +38,5 @@ dynmat = dynmat.reshape((dynlen, dynlen))
 eigvals, eigvecs = np.linalg.eig(dynmat)

 # frequencies in THz
-omegas = np.sqrt(np.abs(eigvals))
+omegas = np.sqrt(np.abs(eigvals))/2/np.pi
 print(omegas)