mirror of https://gitlab.com/QEF/q-e.git
36 lines
1018 B
Plaintext
36 lines
1018 B
Plaintext
&INPUTPP
|
|
! plot_num:
|
|
! 0 = electron (pseudo-)charge density
|
|
! 1 = total potential V_bare + V_H + V_xc
|
|
! 2 = local ionic potential V_bare
|
|
! 3 = local density of states at E_fermi
|
|
! 4 = local density of electronic entropy
|
|
! 5 = STM images
|
|
! 6 = rho(up) - rho(down)
|
|
! 7 = |psi|^2
|
|
! 8 = ELF
|
|
! 9 = rho(scf) - superposition of atomic densities
|
|
! 10 = ILDOS
|
|
! 11 = electrostatic potential (V_bare + V_H)
|
|
! 12 = sawtooth electric field potential (if present)
|
|
! 13 = noncollinear magnetization.
|
|
! 17 = PAW all-electron valence charge density
|
|
! 18 = XC field (noncollinear case)
|
|
! 19 = reduced density gradient
|
|
! 20 = rho * second-eigenvalue-electron-density-Hessian-matrix
|
|
! 21 = PAW all-electron charge density (valence+core).
|
|
plot_num = 0
|
|
outdir = '...'
|
|
plot_num = 0
|
|
/
|
|
|
|
&PLOT
|
|
nfile = 1
|
|
weight(1) = 1.0
|
|
|
|
iflag = 3
|
|
output_format = 5
|
|
|
|
fileout = '...'
|
|
/
|