This example shows how to use pw.x to calculate the total energy
and the band structure of fcc-Pt with a fully relativistic US-PP
which includes spin-orbit effects.
The calculation proceeds as follows:
1) make a self-consistent calculation for Pt (input=pt.scf.in,
output=pt.scf.out).
2) make a band structure calculation for Pt (input=pt.nscf.in,
output=pt.nscf.out).
REFERENCES:
A. Dal Corso and A. Mosca Conte,
Spin-orbit coupling with ultrasoft pseudopotentials: application to Au and Pt,
Phys. Rev. B 71, 115106 (2005)
A. Dal Corso,
Projector augmented-wave method with spin-orbit coupling: applications to
simple solids and zincblende-type semiconductors,
Phys. Rev. B 86, 085135 (2012)
A. Dal Corso,
Projector augmented-wave method: application to relativistic
spin-density functional theory,
Phys. Rev. B 82, 075116 (2010).
Pseudopotentials with spin-orbit and other tests:
A. Dal Corso,
Pseudopotentials periodic table: from H to Pu,
Comp. Material Science 95, 337 (2014).

&control
calculation = 'scf'
restart_mode='from_scratch',
prefix='Pt',
tprnfor = .true.,
tstress =.true.,
pseudo_dir = '$PSEUDO_DIR/',
outdir='$TMP_DIR/'
/
&system
ibrav= 2, celldm(1) =7.42, nat= 1, ntyp= 1,

lsp
inorb=.true.,
noncolin=.true.,
starting_magnetization=0.0,
occupations='smearing',
degauss=0.02,
smearing='mp',
ecutwfc =30.0,
ecutrho =250.0,
/
&electrons
mixing_beta = 0.7,
conv_thr = 1.0d-8
/
ATOMIC_SPECIES
Pt 0.0 Pt.rel-pz-n-rrkjus.UPF
ATOMIC_POSITIONS
Pt 0.0000000 0.00000000 0.0
K_POINTS AUTOMATIC
4 4 4 1 1 1
&control
calculation = 'nscf'
restart_mode='from_scratch',
prefix='Pt',
tprnfor = .true.
pseudo_dir = '$PSEUDO_DIR/',
outdir='$TMP_DIR/'
/
&system
ibrav= 2, celldm(1) =7.42, nat= 1, ntyp= 1,
lspinorb=.true.,
noncolin=.true.,
starting_magnetization=0.0,
occupations='smearing',
degauss=0.02,
smearing='mp',
ecutwfc =30.0,
ecutrho =250.0,
/
&electrons
mixing_beta = 0.7,
conv_thr = 1.0d-8
/
ATOMIC_SPECIES
Pt 0.0 Pt.rel-pz-n-rrkjus.UPF
ATOMIC_POSITIONS
Pt 0.0000000 0.00000000 0.0
K_POINTS
8
0.0 0.0 0.0 1.0
0.1 0.0 0.0 1.0
1.0 0.0 0.0 1.0
0.4 0.2 0.1 1.0
0.4 0.4 0.0 1.0
0.4 0.4 0.4 1.0
0.5 0.5 0.5 1.0
0.75 0.75 0.0 1.0