[Pw_forum] symmetries

[Wohlwend, Jennifer L CTR USAF AFMC AFRL/RXBT]

>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
Right, but mine's in angstrom so I'm using ATOMIC_POSITIONS angstrom but I'm
not sure why I'm getting no symmetry, I guess that was my real question.
Thanks,
Jen

Jennifer L. Wohlwend, Ph.D.
Thermal Sciences and Materials Branch
Materials and Manufacturing Directorate
Air Force Research Laboratory
Ctr: Universal Technology Corporation
Email: jennifer.wohlwend.ctr at wpafb.af.mil 


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