[Wien] FSGEN
Shen Li Qiu
qiu at fau.edu
Tue Jul 29 18:50:53 CEST 2003
Dear All,
It says on page 128 of UG that "x-len, y-len are length of the two
directions of the plane (in bohr-1, you can find this in case.spaghetti.ene)".
The first a few lines of TiC.spaghetti.ene are as follows:
bandindex: 1
0.00000 0.00000 0.00000 0.00000 -56.88422
0.06202 0.06202 -0.06202 0.10741 -56.88063
0.12404 0.12404 -0.12404 0.21484 -56.87168
According to spag.f the values of each row correspond to
vk(1,jk),vk(2,jk),vk(3,jk),xval(jk),eigen(je,jk)
Would you please let me know how to find x-len and y-len from these data.
Thanks in advance.
Shen Li Qiu
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