[Wien] change convergence criteria

[Yundi Quan]

Yes, I am trying to calculate phonon frequency at gamma point. And the
result changes when I use a smaller -fc. Thanks a lot.

Yundi

On Mon, Sep 19, 2011 at 10:40 PM, Peter Blaha
<pblaha at theochem.tuwien.ac.at>wrote:

> Use -NI
>
> But: do you know why you want to use -fc 0.1   ????  (phonons, otherwise
> this is not necessary).
>
>
> Am 20.09.2011 07:22, schrieb Yundi Quan:
>
>> First, I did a scf calculation with -fc 1.0 and I got a converged result.
>> Now, I want to set -fc to 0.1. Should I restart my calculation without the
>> -NI (i.e. start from
>> scratch) or should I turn on -NI (i.e. use the existing result as the
>> starting point)?
>>
>>
>> Yundi
>>
>>
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>
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> ------------------------------**-----------
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