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sturmian-1.input
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!****************************************************************************
!STURMIAN BASIS SET PARAMETERS
!****************************************************************************
!
! orderlist
! -- Data for the number of Sturmian function to use as a basis
! norder: (integer) number of radial Sturmians
!
&orderlist
norder=300
&end
!
! energylist
! -- Energy of the Sturmians
! energy: (complex*16) energy of radial Sturmians
!
&energylist
energy =(-0.4d0,0d0)
&end
!
! potlist
! -- Data for the Sturmian potentials
! ishort: (integer) index to select the short range potential
! --0: Coulomb well -1/r
! --1: Yukawa -exp(-alpha*r)/r
! --2: Hulthen -exp(-alpha/r)/(1d0 - exp(-alpha/r))
! --3: Exponential -exp(-r*alpha)
! --4: Spherical well
! --5: Fullerene V(r)=-u0 rc0<=r<=rc0+delta0, 0 otherwhise +Coulomb
! --6: Two Fullerene V(r)=-u0 rc0<=r<=rc0+delta0, -u1 rc1<=r<=rc1+delta1, 0 otherwhise +Coulomb
! alpha: (real*8) data of the range of Yukawa, Hulten or Exponential potential
! charge: (real*8) positive charge for the Coulomb potential (long range)
! u#: (real*8) data for the fullerene potential (in a.u.)
! rc#: (real*8) data for the fullerene potential (in a.u.)
! delta#: (real*8) data for the fullerene potential (in a.u.)
! iboundary: (integer) index to select the boundary condition
! --0: stationary (box)
! --1: outgoing wave (eikonal)
! --(-1): incoming wave (eikonal)
!
&potlist
ilong = 0
ishort = 0
alpha= 0d0
charge= 1d0
u0 = 0d0
rc0 = 0d0
delta0 = 0d0
u1 = 0d0
rc1 = 0d0
delta1 = 0d0
iboundary= 0
&end
!
! lqlist
! -- Angular momentum of the Sturmians
! lq: (integer) maximum angular momentum to calculate the Sturmians
!
!
&lqlist
lq= 15
&end
!
! bsplinelist
! -- Data for the Bsplines (used to calculate the Sturmians)
!
! kp: (integer) order of the Bsplines (degree of polynomial)
! nb: (integer) number of Bsplines (equal or higher than norder)
! rmax: (real*8) size of the box (from 0 to rmax)
! nquad_bsp: (integer) number of Legendre-Gauss quadrature points in between knot points to solve the Sturm-Liouville eq.
!
&bsplinelist
kp=7
nb=2000
rmax=300d0
nquad_bsp=15
&end
!
! quadlist
! -- Data for the Sturmian integrals
! nquad: (integer) number of Legendre-Gauss quadrature points to integrate Sturmians in [0,rmax]
!
&quadlist
nquad=1000
&end
!
!********************************************************
! DATA FOR PULSE PROPAGATION
!********************************************************
! pulselist
! --Data for the pulse
!
! peaki: intensity of the pulse such that a0=5.3378d-09*dsqrt(peaki)
! omega: frecuency of the pulse
! ncycle: number of cycles such that tau=2*pi*ncycle/omega
! omega1: frequency for the second pulse if env=2
! ncyle1: number of cycles for the second pulse if env=2; duration of the plateau if env=3
! tsep: time separation between two pulses for env=2
! phase: phase of the pulse
! env: envelope of pulse in velocity gauge
! --1: a(t)=-ci*amax*sin(omega*t)*Sin(pi*t/tau)^2 for 0<=t<=tau tau=2*pi*ncycle/omega
! --2: a(t)=-ci*amax*(sin(omega*t)*Sin(pi*t/tau)^2 for 0<=t<=tau, sin(omega1*(t-tau-tsep))*Sin(pi*(t-tau-tsep)/tau1)^2
! for tau+tsep<=t<=tau+tsep+tau1) tau1=2*pi*ncycle1/omega1
! --3: a(t)=-ci*amax*sin(omega*t)*Sin(pi*t/2 tau)^2 for 0<=t<=tau, -ci*amax*sin(omega*t) for tau<=t<=tau+tau1),
! -ci*amax*sin(omega*t)*Sin(pi*(t-tau1)/2 tau)^2 for tau+tau1<=t<=2*tau+tau1 tau=2*pi*ncycle/omega tau1=2*pi*ncycle1/omega
! gauge: --1: length gauge
! --2: velocity gauge
!
&pulselist
peaki=5d+14
omega=0.375d0
ncycle=16.0d0
omega1=0d0
ncycle1=0d0
tsep=0d0
phase=0.0d0
env=1
gauge=2
&end
!
! propaglist
! --Data for the propagation in time--
!
! qnumber: quantum numbers of the eigenstate to start propagatin (n,l)
! h: fixed value of the time step during propagation
! nkry: number of krylov vectors
! num_save_vec: times to save vector during propagation
! tolrndm: random number for the norm in Arnoldi
!
&propaglist
qnumber= 1 0
h=0.03d0
nkry=60
num_save_vec=50
tolrndm=1d12
&end
!
!**************************************************************
! INFORMATION EXTRACTION: PROBABILITY DENSITY AND SPECTRUM
!**************************************************************
!
! plotlist
! --Data for plotting the wp density and energy spectrum--
!
! plot_extract: 1 for extraction of the bound states in the radial density and/or wave packet plot
! plot_rdens: 1 for output file to plot the radial density of the wave packet at num_save_vec times
! plot_wavepkt: 1 for output file of absolute value of wave paket with angular dependency
! plot_pop: 1 for output file of population of 1s,2p and 3p states
! plot_spect_td: 1 for output file of energy spectrum from projection in coulomb wave
! plot_rm: 1 for output file of mean radius
! ngrids: number of plot points for radial coordinate
! ngridsk: number of plot points for the spectrum for energy coordinate
! emax: maximum value of energy to calculate the spectrum in (0,emax)
!
&plotlist
plot_extract=0
plot_vq=0
plot_rdens=0
plot_wavepkt=0
plot_pop=0
plot_spect_td=1
plot_rm=0
ngrids=2000
ngridsk=300
emax=1d0
&end