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Hello

I'm trying to set up a POSCAR for Ru bulk which has the following

a=b=2.7058 and c=4.2819. For angles, alpha=beta=90, gamma=120. Space group no 194

I have fractional coordinates for this system but I do not know how to set up the lattice vectors when the angles are different.
Can anyone help?
Thank you,
Kugan

Hi Kugan,

Try the following three vectors:

a*cos30 -a*cos60 0
0 a 0
0 0 c

Sometimes vasp complains and you have to switch the vectors.

Vahid