SUBROUTINE mtmesh(NRAD,npan,meshn,nm,xrn,drn,
& nfu,thetas,lmifun,mtradius)
Implicit None
c#@# KKRtags: VORONOI radial-grid
include 'inc.geometry'
C
C
C Program mtmesh.f adds one extra pannel inside the
C muffin-tin sphere to allow lattice relaxations.
C stores the mt-nized shapes in unit 15 as shapefun
C .. Parameters ..
c nrad : number of points added inside the MT radius
Integer ibmaxd
Parameter (IBMAXD=(LMAXD1+1)*(LMAXD1+1))
Integer nrad
c Parameter (nrad=20)
C ..
C .. Local Scalars ..
REAL*8 dist,dn1,mtradius,pi,scale
Integer ifun,ipan1,ir,lm,meshn,nfu,npan,number
integer ip,i
C ..
C .. Arrays ..
REAL*8 drn(IRID),thetas(IRID,ibmaxd),xrn(IRID)
Integer nm(npand),lmIFUN(ibmaxd)
C ..
C .. Local Arrays ..
REAL*8 drn1(IRID),thetas1(IRID,ibmaxd),xrn1(IRID)
Integer nm1(npand)
integer meshn1,npan1
C ..
C .. Intrinsic Functions ..
Intrinsic abs,datan,dsqrt,sqrt
C ..
pi = 4.d0*datan(1.d0)
npan1 = npan + 1
meshn1 = meshn + nrad
nm1(1) = nrad
do ip=2,npan1
nm1(ip) = nm(ip-1)
end do
If (npan1.gt.npand) Then
Write (6,FMT=*) ' npan , npand ',npan1,npand
Stop
End if
If (meshn1.gt.irid) Then
Write (6,FMT=*) ' meshn , irid ',meshn1,irid
Stop
End if
dist = xrn(1) - mtradius
If (dist.lt.1.0d-5) Then
Write (6,FMT=*) 'Error from MTMESH '
write (6,*)
& 'Your MT-radious is biger that the minimum shape radious '
write(6,*) 'Your MT-Radious .....',mtradius
write(6,*) 'Shape Radious .......',xrn(1)
Stop
End if
dn1 = dist/ (nrad-1)
xrn1(nrad) = xrn(1)
drn1(nrad) = dn1
Do ir = 1,nrad-1
xrn1(ir) = mtradius + dn1* (ir-1)
drn1(ir) = dn1
End do
do i=1,meshn1-nrad
xrn1(i+nrad) = xrn(i)
drn1(i+nrad) = drn(i)
end do
Do ir = 1,nrad
thetas1(ir,1) = dsqrt(4.d0*pi)
Do ifun = 2,ibmaxd
thetas1(ir,ifun) = 0.0d0
End do
End do
Do 10 ifun = 1,nfu
do ir=1,meshn1-nrad
thetas1(nrad+ir,ifun) = thetas(ir,ifun)
end do
10 Continue
c
c Now map back and return.
c
npan = npan1
meshn = meshn1
do ip=1,npan
nm(ip) = nm1(ip)
end do
do ir=1,meshn
xrn(ir) = xrn1(ir)
drn(ir) = drn1(ir)
end do
Do ifun = 1,nfu
do ir=1,meshn
thetas(ir,ifun) = thetas1(ir,ifun)
end do
end do
c
c Now store on disk
c
c write(15,FMT=9000) npan,meshn
c Write (15,FMT=9000) (nm(ipan1),ipan1=1,npan)
c Write (15,FMT=9010) (xrn(ir),drn(ir),ir=1,meshn)
c Write (15,FMT=9000) nfu
c Do ifun = 1,nfu
c Write (15,FMT=9000) lmifun(ifun)
c Write (15,FMT=9010) (thetas(ir,ifun),ir=1,meshn)
c end do
RETURN
9000 Format (16i5)
9010 Format (4d20.12)
End
