Dear users,
i am calculating the spin density plots of some Heusler alloys. the alloys
are ferromagnetic. i successfully calculated the plot for Fe2NiAl but when
i plot it for Fe2NiGa, all the peaks are shown in negative direction. both
these alloys are having a positive spin magnetic moment. the
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Yes you can do it using lapw5. Here is a typical case.in5 file:
top of file: case.in5
0 0 0 1 # origin of plot: x,y,z,denominator
1 1 0 1 # x-end of plot
0 0 1 2 # y-end of plot
3 3 3 # x,y,z nshells (of unit cells)
100 100 # nx,ny
RHO SUB
ANG VAL NODEBUG #
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