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MODULE
spinodal_mod
PURPOSE
homogeneous spinodal sweep with Random Phase Approximation (RPA)
COMMENT
SOURCE
module spinodal_mod use const_mod use io_mod use chemistry_mod use response_pd_mod implicit none private public :: rpa_homo_startup public :: rpa_homo public :: rpa_blend public :: triblock_rpa_homo
SUBROUTINE
rpa_homo_startup
PURPOSE
Allocate arrays needed by rpa_homo
SOURCE
subroutine rpa_homo_startup
SUBROUTINE
rpa_homo(N)
PURPOSE
Find the spinodals of homogeneous phase Two searching strategies are implemented (1) search N at fixed compositions (2) search compositions at fixed N
ARGUMENTS
integer i_unit = input unit
SOURCE
subroutine rpa_homo(i_unit) integer, intent(IN) :: i_unit ! input unit
SUBROUTINE
rpa_homo_old(i_unit)
PURPOSE
....
ARGUMENTS
i_unit = # of q vectors
SOURCE
subroutine rpa_homo_old(i_unit) implicit none integer, intent(IN) :: i_unit ! input unit #
SUBROUTINE
rpa_blend
PURPOSE
For blend of A/B/A-B where A-B might be polydisperse with fixed monomer volume fractions, calculate the spinodal wave vector and chain length COMMENTS First minimize w.r.t. to q --> qsq_star Then minimize w.r.t. to N --> N_star
SOURCE
subroutine rpa_blend(i_unit) implicit none integer,intent(IN) :: i_unit
SUBROUTINE
triblock_rpa_homo
PURPOSE
Calculate critical the points where the eigenvalues of both AC modulation and B modulation are 0
SOURCE
subroutine triblock_rpa_homo(i_unit) implicit none integer,intent(IN) :: i_unit
SUBROUTINE
triblock_bimode
PURPOSE
Calculate critical the points where the eigenvalues of both AC modulation and B modulation are 0
SOURCE
subroutine triblock_bimode implicit none