Filename

• pwscf.NAnorm.dat
  Occupation \(q_{\gamma \mathbf{k}}\) at each time-dependent Kohn-Sham (TDKS) state \(\psi_{\gamma \mathbf{k} }( \mathbf{G},t)\)

• pwscf.NAvalue.dat
  Eigenvalue of each \(\psi_{\gamma \mathbf{k} }( \mathbf{G},t)\), i.e. \(\left \langle \psi_{\gamma \mathbf{k} }( \mathbf{G},t) | \mathcal{H}_{\mathbf{k}} ( \mathbf{G},t) | \psi_{\gamma \mathbf{k} }( \mathbf{G},t) \right \rangle\)

• pwscf.norm.dat
  Occupation \(q_{i \mathbf{k}}\) at each adiabatic basis \(\phi_{i\mathbf{k}}(\mathbf{G},t)\), i.e. \(\sum_\gamma q_{\gamma \mathbf{k}} | \left \langle \psi_{\gamma \mathbf{k} }( \mathbf{G},t) | \phi_{i \mathbf{k} }( \mathbf{G},t) \right \rangle |^2\)

• pwscf.value.dat
  Eigenvalue \(\varepsilon_{i,\mathbf{k}}\) of each \(\phi_{i\mathbf{k}}(\mathbf{G},t)\), i.e. \(\left \langle \phi_{i\mathbf{k}}(\mathbf{G},t) | \mathcal{H}_{\mathbf{k}} ( \mathbf{G},t) | \phi_{i\mathbf{k}}(\mathbf{G},t) \right \rangle\)

• pwscf.pop0.dat
  Occupation at each \(\phi_{i\mathbf{k}}(\mathbf{G},t=0)\), i.e. \(\sum_\gamma q_{\gamma \mathbf{k}} | \left \langle \psi_{\gamma \mathbf{k} }( \mathbf{G},t) | \psi_{\gamma \mathbf{k} }( \mathbf{G},t=0) \right \rangle |^2\)

• pwscf.cmat.dat
  
• pwscf.pop0.dat
  
• pwscf.msd.dat
  
• pwscf.phase.dat
  
• pwscf.rdf.dat
  
• pwscf.x.magKS.dat
  The spin Output(x component) of each KS orbitals at a noncolinear case

-pwscf.x.magTDKS.dat
The spin Output(x component) of each TDKS orbitals at a noncolinear case

-pwscf.y.magKS.dat
The spin Output(y component) of each KS orbitals at a noncolinear case

-pwscf.y.magTDKS.dat
The spin Output(y component) of each TDKS orbitals at a noncolinear case

-pwscf.z.magKS.dat
The spin Output(z component) of each KS orbitals at a noncolinear case

-pwscf.z.magTDKS.dat
The spin Output(z component) of each TDKS orbitals at a noncolinear case

Format of data file,

nbnd npol nkstot
kweight[1:nkstot]
data(ibnd=[1,nbnd],ik=1,t=dt)
data(ibnd=[1,nbnd],ik=2,t=dt)
.
.
.
data(ibnd=[1,nbnd],ik=nkstot,t=dt)
--------------------------------
data(ibnd=[1,nbnd],ik=1,t=2*dt)
data(ibnd=[1,nbnd],ik=2,t=2*dt)
.
.
.
data(ibnd=[1,nbnd],ik=nkstot,t=2*dt)
--------------------------------
......
--------------------------------
data(ibnd=[1,nbnd],ik=1,t=nstep*dt)
data(ibnd=[1,nbnd],ik=2,t=nstep*dt)
.
.
.
data(ibnd=[1,nbnd],ik=nkstot,t=nstep*dt)
--------------------------------