rdbres
This program computes resonance position for a three dimensional problem where the potential is piecewise adiabatic with transformation matrices between each region.
The integration is continued out to an inputted maximum r. The asymptotic potential is adjusted to agree with the with exact static polarizability.
iutpot
symtps
iuwavf, iuwavo, iureng, idstopx
iprnfg
PotRMax
EMaxForStep
iStepsPerLambda
iutpot < 0
and nppx < 0
then readnppx
nppx >= 0
then readnppx, (nppxi(i), i = 1, nppx)
iuwavf < 0
then readnppwx
idstop(4) = 1
then repeatedly read until ibranch < 0
ibranch < 0
readibranch
0 <= ibranch < 2
readibranch, rrzengi, rizengi
2 <= ibranch
readibranch, rrzengi, rizengi, rrzengs, rizengs, icont
iutpot
iutpot < 0
then read in which partial waves to use
symtps
(LEN = 5)
which is the IR for the
continuum electron
iuwavf
iuwavf = 0
then
do not compute the wave function.
iuwavf /= 0
then the program writes
out the eigenfunction of the T matrix with the largest
eigenvalue to unit ABS(iuwavf)
.
iuwavf < 0
then read in the number of radial functions
to write out.
iuwavo
ABS(iuwavo)
in the full partial wave format.
iuwavo = 0
then do not write out the wave function.
iuwavo < 0
write out in
plotable form.
iureng
iureng = 0
do not write out. If idstop(4) = 2
then this is an input unit
with energies for single point calculations.
idstopx
idstopx= 0
then do the whole calculation.
idstopx
gets decomposed into a series of flags which are put in
into idstop, idstop(1)
from the ones place, idstop(2)
from the
tens place etc.
idstop(1)
= 0
do the regular scattering calculation.
= 1
do not do the regular scattering calculation.
idstop(2)
= 0
do the bound state calculation.
= 1
do not do the bound state calculation.
= 2
do energies and print out, but do not search for
roots.
idstop(3)
= 0
do the resonant state calculation.
= 1
do not do the resonant state calculation.
idstop(4)
= 0
do not do the inputed energy calculation energy
calculation.
= 1
do only the inputed energy claculation.
= 2
read energies from iureng
.
iprnfg
PotRMax
EMaxForStep
iStepsPeLambda
nppx
nppx < 0
then use the first ABS(nppx)
partial waves, other read in explicitly which partial waves to use.
nppxi(i)
nppwx
ibranch
ibranch < 0
no more points to calculate.
ibranch = 0
physical sheet which contains the real bound states,
compute at a single energy.
ibranch = 1
unphysical sheet which contains virtual states and resonances,
compute at a single energy.
ibranch = 2
physical sheet which contains the real bound states and do
sequence of energies.
ibranch = 3
unphysical sheet which contains virtual states and resonances
and do a sequence of energies.
rrzengi
rizengi
rrzengs
rizengs
icont
(rrzengi, rizengi)
and incrementing by (rrzengs, rizengs)
.