mod_rotatespinframe Module
Wrapper to setup the rotation matrices to transform from the local to the global frame of references
Uses
-
- mod_datatypes
Variables
| Type | Visibility | Attributes | Name | Initial | |||
|---|---|---|---|---|---|---|---|
| character(len=25), | public, | parameter | :: | spinmode | = | 'kkr' |
Subroutines
public subroutine rotatematrix(mat, theta, phi, lmsize, mode)
- License
- Category
- numerical-tools, KKRhost
R o t a t e s
a
m a t r i x
i n
t h e
l o c a l
f r a m e
p o i n t i n g
i n
t h e
d i r e c t i o n
o f
\ ( \ p h i \ )
a n d
\ ( \ t h e t a \ )
t o
t h e
g l o b a l
f r a m e
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| complex(kind=dp), | intent(inout), | dimension (2*lmsize, 2*lmsize) | :: | mat | ||
| real(kind=dp), | intent(in) | :: | theta | |||
| real(kind=dp), | intent(in) | :: | phi | |||
| integer, | intent(in) | :: | lmsize | |||
| integer, | intent(in) | :: | mode |
public subroutine rotatevector(rho2nsc, rho2ns, nrmax, lmpotd, theta, phi, theta_old, phi_old, nrmaxd)
- License
- Category
- numerical-tools, KKRhost
D o e s
t h e
r o t a t i o n
f r o m
t h e
o l d
l o c a l
t o
t h e
n e w
l o c a l
s p i n
f r a m e
r e f e r e n c e
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| complex(kind=dp) | :: | rho2nsc(nrmaxd,lmpotd,4) | ||||
| real(kind=dp) | :: | rho2ns(nrmaxd,lmpotd,4) | ||||
| integer | :: | nrmax | ||||
| integer | :: | lmpotd | ||||
| real(kind=dp) | :: | theta | ||||
| real(kind=dp) | :: | phi | ||||
| real(kind=dp) | :: | theta_old | ||||
| real(kind=dp) | :: | phi_old | ||||
| integer | :: | nrmaxd |
private subroutine create_wmatrix(theta, phi, theta_old, phi_old, lmsize, wmat1, wmat2)
- License
- Category
- numerical-tools, KKRhost
C r e a t e
t h e
r o t a t i o n
m a t r i x
\ ( W \ ) :
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| real(kind=dp), | intent(in) | :: | theta | |||
| real(kind=dp), | intent(in) | :: | phi | |||
| real(kind=dp), | intent(in) | :: | theta_old | |||
| real(kind=dp), | intent(in) | :: | phi_old | |||
| integer, | intent(in) | :: | lmsize | |||
| complex(kind=dp), | intent(out) | :: | wmat1(2*lmsize,2*lmsize) | |||
| complex(kind=dp), | intent(out) | :: | wmat2(2*lmsize,2*lmsize) |
private subroutine create_umatrix(theta, phi, lmsize, umat, udeggamat)
- License
- Category
- numerical-tools, KKRhost
C r e a t e
t h e
r o t a t i o n
m a t r i x
\ ( U \ )
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| real(kind=dp), | intent(in) | :: | theta | |||
| real(kind=dp), | intent(in) | :: | phi | |||
| integer, | intent(in) | :: | lmsize | |||
| complex(kind=dp), | intent(out) | :: | umat(2*lmsize,2*lmsize) | |||
| complex(kind=dp), | intent(out) | :: | udeggamat(2*lmsize,2*lmsize) |