band structure calculation, error KPOINTS

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ben1978

band structure calculation, error KPOINTS

#1 Post by ben1978 » Tue Jul 28, 2009 1:08 pm

Dear all,

Each time I try to perform a band structure calculation for an CFC type lattice, it stopps quickly and I get this error message :

Error reading KPOINTS file
the error occured at line: 2

My KPOINTS is as following :
k-points along high symmetry lines
10 ! 10 intersections
Line-mode
rec

0 0 0 ! gamma
0 0.5 0 ! X

0 0.5 0 ! X
0.25 0.25 0.25 ! L

0.25 0.25 0.25 ! L
0.25 0.5 0 ! W

So, does anyone know where the problem really comes from ?

Thanks in advance !
Last edited by ben1978 on Tue Jul 28, 2009 1:08 pm, edited 1 time in total.

panda

band structure calculation, error KPOINTS

#2 Post by panda » Thu Jul 30, 2009 4:36 pm

Take out the space between rec and 0 0 0 ! gamma and it should run fine, the error is because there should not be a space here
Last edited by panda on Thu Jul 30, 2009 4:36 pm, edited 1 time in total.

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