quantum-espresso/GUI/QE-modes/qe-modes.templates/ph.in

31 lines
526 B
Plaintext

title-line that is reprinted on output
&INPUTPH
!recover = .true. | .false.
!amass(1) = , amass(2) = ...
outdir = ''
prefix = ''
fildyn = ''
tr2_ph = 1d-16
alpha_mix(1) = 0.5
!nat_todo =
!trans = .true. | .false.
!epsil = .true. | .false.
!lrpa = .true. | .false.
!lnoloc = .true. | .false.
!lraman = .true. | .false.
!ldisp = .true. | .false.
!nogg = .true. | .false.
!asr = .true. | .false.
/
q-point(s)-specs
nat_todo-list-of-atoms