[Wien] Structure optimization with TEMP

[fabien.tran at vasp.at]

For a metal the total energies obtained with TETRA and TEMP will be 
different.

If there is no way to achieve convergence with TETRA, then all 
calculations should be done with TEMP.

On 21.06.2022 14:11, shamik chakrabarti wrote:
> Dear Wien2k users,
> 
>                        We know the total energy/unit cell will be
> different for two cases with TETRA or TEMP. However, a converged
> structure obtained using TETRA will be same as obtained with TEMP or
> different?
> 
> with regards,
> 
> --
> 
> Dr. Shamik Chakrabarti
> Research Fellow
> Department of Physics
> Indian Institute of Technology Patna
> Bihta-801103
> Patna
> Bihar, India
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