[Wannier] param_get_projection: Atom site not recognised c1

Xu Yuehua njuxuyuehua at gmail.com
Tue Jan 8 14:41:48 CET 2013


hello all:

i have a strange problem. in the input *.win, i write
*Begin Projections
C1:sp2;pz*
*C2:pz
End Projections*

the output error is:

*Wannier90 is running in LIBRARY MODE

 Setting up k-point neighbours...


 Ignoring <num_bands> in input file
 Ignoring <mp_grid> in input file
 Ignoring <unit_cell_cart> in input file
 Ignoring <kpoints> in input file
 Ignoring <atoms_frac> in input file
 Exiting.......
 **param_get_projection: Atom site not recognised c1*

**
so i am wondering,anyone can help me,because in the example 10, the C1,C2
is writen in the graphite.win. i thought it is correct.



-- 
Yuehua Xu
Group of Computational Condensed Matter Physics,
National Laboratory of Solid State Microstructures and Department of
Physics,
Nanjing University,
 Nanjing 210093,
 P. R. China
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