ps_cpi_file_oct_m::ps_cpi_file_t Type Reference

First, the contents of the file. More...

Detailed Description

First, the contents of the file.

Definition at line 131 of file ps_cpi_file.F90.

Private Attributes
real(real64)	zval
	valence charge More...
integer	no_l_channels
	number of pseudo components (lmax+1) More...
integer	nr
	number of mesh points More...
real(real64)	a
	mesh multiplicative increment More...
real(real64), dimension(:), allocatable	rofi
	radial mesh More...
real(real64), dimension(:,:), allocatable	vps
	pseudopotential More...
real(real64), dimension(:,:), allocatable	rphi
	r times the pseudowavefunctions More...
logical	core_corrections
real(real64), dimension(:), allocatable	chcore
	r times the core charge More...
real(real64), dimension(:), allocatable, private	d1chcore
	first derivative of chcore More...
real(real64), dimension(:), allocatable, private	d2chcore
	second derivative of chcore More...

Member Data Documentation

zval

real(real64) ps_cpi_file_oct_m::ps_cpi_file_t::zval

private

valence charge

Definition at line 133 of file ps_cpi_file.F90.

no_l_channels

integer ps_cpi_file_oct_m::ps_cpi_file_t::no_l_channels

private

number of pseudo components (lmax+1)

Definition at line 134 of file ps_cpi_file.F90.

nr

integer ps_cpi_file_oct_m::ps_cpi_file_t::nr

private

number of mesh points

Definition at line 136 of file ps_cpi_file.F90.

a

real(real64) ps_cpi_file_oct_m::ps_cpi_file_t::a

private

mesh multiplicative increment

Definition at line 137 of file ps_cpi_file.F90.

rofi

real(real64), dimension(:), allocatable ps_cpi_file_oct_m::ps_cpi_file_t::rofi

private

radial mesh

Definition at line 139 of file ps_cpi_file.F90.

vps

real(real64), dimension(:,:), allocatable ps_cpi_file_oct_m::ps_cpi_file_t::vps

private

pseudopotential

Definition at line 140 of file ps_cpi_file.F90.

rphi

real(real64), dimension(:,:), allocatable ps_cpi_file_oct_m::ps_cpi_file_t::rphi

private

r times the pseudowavefunctions

Definition at line 141 of file ps_cpi_file.F90.

core_corrections

logical ps_cpi_file_oct_m::ps_cpi_file_t::core_corrections

private

Definition at line 143 of file ps_cpi_file.F90.

chcore

real(real64), dimension(:), allocatable ps_cpi_file_oct_m::ps_cpi_file_t::chcore

private

r times the core charge

Definition at line 144 of file ps_cpi_file.F90.

d1chcore

real(real64), dimension(:), allocatable, private ps_cpi_file_oct_m::ps_cpi_file_t::d1chcore

private

first derivative of chcore

Definition at line 145 of file ps_cpi_file.F90.

d2chcore

real(real64), dimension(:), allocatable, private ps_cpi_file_oct_m::ps_cpi_file_t::d2chcore

private

second derivative of chcore

Definition at line 146 of file ps_cpi_file.F90.

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The documentation for this type was generated from the following file:

• species/ps_cpi_file.F90