[Wien] spin density plots

2013-06-06 Thread idris.09 idris
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

[Wien] spin density

2012-03-08 Thread kangb...@lycos.co.kr
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[Wien] spin density

2012-03-07 Thread Rocquefelte
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 #