[Wien] mini with constraints?

[Gavin Abo]

As I recall, NEWT may need to be specified in case.inM for min_lapw 
(mini) to do that [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16213.html 
].

Though, when constraining of atomic positions makes sense [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg10622.html 
, 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08729.html 
].

Since "run -min" can avoid bad point [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg10459.html 
] and can be faster than mini_lapw [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13712.html 
], it seems unfortunate that the constraint feature is not yet 
implemented for that.

On 5/19/2018 6:54 AM, Peter Blaha wrote:
> I have not used them for a couple of years now, but they should of 
> course work using   min_lapw.
>
> They are not yet implemented in   run -min
>
> Am 18.05.2018 um 22:56 schrieb Laurence Marks:
>> Dear All,
>>
>> Has anyone used extensively the constraint options in mini (I have 
>> not, and did not write it). I am not 100% certain that it will always 
>> work.
>>
>> -- 
>> Professor Laurence Marks
>> "Research is to see what everybody else has seen, and to think what 
>> nobody else has thought", Albert Szent-Gyorgi
>> www.numis.northwestern.edu <http://www.numis.northwestern.edu> ; 
>> Corrosion in 4D: MURI4D.numis.northwestern.edu 
>> <http://MURI4D.numis.northwestern.edu>
>> Partner of the CFW 100% program for gender equity, 
>> www.cfw.org/100-percent <http://www.cfw.org/100-percent>
>> Co-Editor, Acta Cryst A
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