[Pw_forum] error in vc-md at 700K, 72GPa calculations

[Stefano de Gironcoli]

the unit of pressure is KBar.. you can know it from the documentation, 
for instance INPUT_PW.html

sometime it's useful.
stefano

On 07/01/2011 02:11 AM, Hongsheng Zhao wrote:
> On 06/30/2011 10:42 PM, WANG Wei wrote:
>> Prof. Giannozzi,
>> It should be press=720     ! 72GPa.
>> By the way, what are the values of ave,  avec,  e,  eal,   p,   tv files
>> in the vc-md calculations.
>    From where you know  the unit for press should be Gpa in default?  I
> think for the other things you mentioned above, perhaps you can find
> hints from the same place.
>
> Regards.