[Wien] Could not find E-Bottom in LAPW1

[Lyudmila Dobysheva]

15.12.2021 21:06, shamik chakrabarti пишет:
>                        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.

It is difficult to answer as you gave too small info.

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

Often such a question cannot be answered even with all info, you are to 
determine this yourself.

Best wishes
-- 
Lyudmila Dobysheva
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