[Pw_forum] Primitive cell of anatase: Reg
suresh2007pgp19 at gmail.com
Wed Jul 6 08:09:53 CEST 2016
I have taken the following atomic positions of primitive cell
for anatase from pwscf forum.
ibrav = 7
A choice of cartesian coordinates for measured values:
I need to know the wyckoff position for the primitive cell of anatase and
how to get it from conventional cell space group I41/amd.
Madurai Kamaraj University,
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