TDPW will read external electric field \(\mathbf{E}(t)\) from TDEFIELD.in
file.
According to Eq.(2,3,4), the vector potential \(\mathbf{k_A}\) ,which is the integral of electric field \(\mathbf{E}\), will be added in the Hamiltonian operator \(\mathcal{H_k}(\mathbf{G,G^{'}},t)\).
If there is no TDEFIELD.in
, the electric field \(\mathbf{E}(t)\) will be set to zero.
There are nstep
rows and 3 columns of values in TDEFIELD.in
.
The 3 values in line \(i\) is the electric field times \(10^5\), i.e. \(\mathbf{E_x}(t)\times 10^{5},\mathbf{E_y}(t)\times 10^{5},\mathbf{E_z}(t)\times 10^{5}\), at time \(t=i\times edt\).
Now TDPW support length gauge by set GaugeField=F; tefield=T; emaxpos=0.96; eopreg=0.1
. The meaning of tefield, emaxpos, eopreg=0.1
can refer to the manual of QE.
For instance, TDEFIELD.in
is like,
0.000373 0.000000 0.000000
0.000473 0.000000 0.000000
-0.000280 -0.000000 -0.000000
-0.002464 -0.000000 -0.000000
-0.004885 -0.000000 -0.000000
-0.002900 -0.000000 -0.000000
0.009653 0.000000 0.000000
0.031101 0.000000 0.000000
0.038987 0.000000 0.000000
-0.007789 -0.000000 -0.000000
-0.127871 -0.000000 -0.000000
-0.245284 -0.000000 -0.000000
...