[Pw_forum] Regarding Phonon dispersions

[Kondaiah Samudrala]

Dear Dr. Sanjeev ,
Here with I am attaching my i/p. I don't know the necessity of scf i/p for
LO-TO calculations at q!=0 cases. If possible, please explain me...

Can Any one Pls suggest me or Answer me regarding q!=0 LO-TO splitting in
Quantum espresso.

with regards
S. Applakondaiah

&control
    calculation = 'scf'
    restart_mode='from_scratch',
    prefix='ZnGeP2',
    tprnfor = .true.
    pseudo_dir = '../pseudo',
    outdir='./tmp/'
    etot_conv_thr = 1.0E-6  ,
    forc_conv_thr = 1.0D-5 ,
 /

 &system
      ibrav          = 7
     celldm(1)       = 10.3888344123,
     celldm(3)       = 1.971766212270,
     nat             = 8
     ntyp            = 3
     ecutwfc         = 35
     ecutrho         = 600

 /

 &electrons
     conv_thr        = 1.0d-12
 /

 ATOMIC_SPECIES
  Zn    65.39   Zn.pw91-n-van.UPF
  Ge    72.61   Ge.pw91-n-van.UPF
  P     30.97   P.pw91-n-van.UPF

 ATOMIC_POSITIONS (crystal)
 Zn       0.000000000   0.000000000   0.000000000
 Zn       0.500000000   0.750000000   0.250000000
 Ge       1.000000000   0.500000000   0.500000000
 Ge       0.500000000   0.250000000   0.750000000
 P        0.003266411   0.375000000   0.871733589
 P        0.496733589   0.128266411   0.125000000
 P        0.503266411   0.621733589   0.625000000
 P        0.996733589   0.875000000   0.378266411

 K_POINTS (automatic)
  7 7 8  1 1 1
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