[Wien] Confusion about monoclinic lattice

[shamik chakrabarti]

Dear Wien2k users,

                            I want to simulate the properties of a
structure which is attached herewith. It has a monoclinic lattice & I have
tried to change Beta to Gamma, b to c & y to z. However, this shifting
changes the structure totally & exhibits a different XRD pattern than
experimental XRD. I want to make these changes as I want to run  *4D
optimization* after volume optimization.

Looking forward to hearing from you.

with regards,

-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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