[Wien] Could not find E-Bottom in LAPW1

[shamik chakrabarti]

Dear Wien2k users,

                      I have tried to run c/a optimization of orthorhombic
FePO4 (struct file attached). Also, I have set Ecut to -11 Ry. However, at
the first cycle, it is showing an error  Could not find E-Bottom in LAPW1
for the L=1 & L=0 for Fe.

I have tried to solve the issue by fixing the energy parameters of Fe
without search (case.in1).& it is running smoothly.

Now, my query is whether this process would lead to the correct solution?

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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