[Wien] integer elements in rotation operation
明文美
iphyboy at hotmail.com
Thu Apr 24 14:51:41 CEST 2008
Dear Wien2k user,
I have a very step-in question:
In case.struct,I find every element of rotation operation is integer,
which strongly indicates that the basis vectors are choosen as the primary cell vectors,
however, in the subroutine star subroutine /SRC_dstart/stern.f, there are dot-product operation,
like TK and K below:
#---------------------------------------------------------------------
DO 2 J=1,3 TK=TK+TAU(J,I)*G(J) K=0 DO 3 L=1,3 K=IZ(J,L,I)*G(L)+K 3 CONTINUE STG(J,I)=K 2 CONTINUE TK=TK*TPI TMP=DCMPLX(COS(TK),SIN(TK))
#----------------------------------------------------------------------
but actually the dot-production above is only applied for vectors with coordinates
in orthogonal system.So is the dot-product quality meaningful,or these operations used here seem wrong ?
Any suggestion is greatly appreciated
Wenmei
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