下面以Si为例，DFPT计算声子态密度。

STEP 1

pw.x si.1_scf.in

The input file is the same with STEP 1 in QE_05.

STEP 2

Calculations of dynamical matrices on q-vector in reciprocal space.
ph.x si.2_ph.in

phonon calculation.
&inputph
  outdir = './outdir'
  prefix = 'si',
  tr2_ph = 1.0d-14
  ldisp = .true.
  amass(1) = 28.0855
  nq1 = 4, nq2 = 4, nq3 = 4
  fildyn = 'si.dyn'
/

STEP 3

calculation of interatomic force constants in real space (Fourier transform of the output from STEP 2)
q2r.x si.3_q2r.in

&input
  fildyn = 'si.dyn'
  zasr = 'simple'
  flfrc = 'si.k444.fc'
/

STEP 4

calculation of phonon frequency at any given list of q-vectors (to get DOS or dispersion)

matdyn.x si.4_matdyn_1_DOS.in

&input
  asr = 'simple'
  dos = .true.
  amass(1) = 28.0855
  flfrc = 'si.k444.fc'
  fldos = 'si.phdos'
  nk1=50, nk2=50, nk3=50
/

After this step, the si.phdos is obtained and we can plot this.

STEP 5

gnuplot 'si.5_plot_dos.gnu'