[Pw_forum] symmetries

Davide Ceresoli davide.ceresoli at materials.ox.ac.uk
Wed Sep 29 21:49:29 CEST 2010


On 09/29/2010 07:46 PM, Wohlwend, Jennifer L CTR USAF AFMC AFRL/RXBT wrote:
> Is ltaucry=.true. still a resolution to the No Symmetry ! issue? I've tried
> putting it in various places in the input and now get:
>
> task #        12
>
>       from  read_namelists  : error #        19
>
>        reading namelist control
>
> Which I did not get previously so I'm thinking it is b/c of the ltaucry tag?

Dear Jennifer,
     I believe ltaucry was present in an old version of the code.
To specify positions in fractional coordinates, use:
ATOMIC_POSITIONS crystal

Davide





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