[Wien] Volume optimization of Sulfur

[shamik chakrabarti]

Dear Wien2k users,

                             I have started volume optimization of Sulfur
with orthorhombic & rombohedral phase. However, even after 30% increase of
the initial volume I didn't get the minima. I have attached the struct file
for both the phases. Is it that the cif file is wrong or I am doing
something wrong?

Looking forward to hearing from you eagerly.

with regards,

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