mirror of https://gitlab.com/QEF/q-e.git
50 lines
1.8 KiB
Plaintext
50 lines
1.8 KiB
Plaintext
|
|
Program DYNMAT v.6.0 (svn rev. 13188M) starts on 7Dec2016 at 17:13: 4
|
|
|
|
This program is part of the open-source Quantum ESPRESSO suite
|
|
for quantum simulation of materials; please cite
|
|
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
|
|
URL http://www.quantum-espresso.org",
|
|
in publications or presentations arising from this work. More details at
|
|
http://www.quantum-espresso.org/quote
|
|
|
|
Parallel version (MPI), running on 1 processors
|
|
|
|
Reading Dynamical Matrix from file dmat.zno
|
|
...Force constants read
|
|
...epsilon and Z* not read (not found on file)
|
|
Acoustic Sum Rule: || Z*(ASR) - Z*(orig)|| = 0.000000E+00
|
|
Acoustic Sum Rule: ||dyn(ASR) - dyn(orig)||= 2.655274E-01
|
|
A direction for q was not specified:TO-LO splitting will be absent
|
|
|
|
Polarizability (A^3 units)
|
|
multiply by 1.000000 for Clausius-Mossotti correction
|
|
0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000
|
|
0.000000 0.000000 0.000000
|
|
|
|
IR activities are in (D/A)^2/amu units
|
|
|
|
# mode [cm-1] [THz] IR
|
|
1 -82.11 -2.4615 0.0000
|
|
2 -0.00 -0.0000 0.0000
|
|
3 -0.00 -0.0000 0.0000
|
|
4 -0.00 -0.0000 0.0000
|
|
5 0.00 0.0000 0.0000
|
|
6 0.00 0.0000 0.0000
|
|
7 0.00 0.0000 0.0000
|
|
8 36.83 1.1041 0.0000
|
|
9 154.19 4.6225 0.0000
|
|
10 180.34 5.4064 0.0000
|
|
11 272.84 8.1794 0.0000
|
|
12 338.91 10.1603 0.0000
|
|
|
|
DYNMAT : 0.00s CPU 0.00s WALL
|
|
|
|
|
|
This run was terminated on: 17:13: 4 7Dec2016
|
|
|
|
=------------------------------------------------------------------------------=
|
|
JOB DONE.
|
|
=------------------------------------------------------------------------------=
|