[Pw_forum] Different behavior in relax tasks (Marino Vetuschi Zuccolini)

[Davide Ceresoli]

Marino Vetuschi Zuccolini wrote:
> Hi Cesar,
> 
>> Hi Marino,
>>
>> please, send your input file.
> 
Hi all,
    yesterday I run into the same problem. It's a bug in the variable cell 
routines (vsinit and vcmove). Try to put movable atoms first:

ATOMIC_POSITIONS  crystal
O    0.24410   0.24410   0.24410
Si   0.12500   0.12500   0.12500 0 0 0
Mg   0.50000   0.50000   0.50000 0 0 0

Best regards,
     Davide


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