[Wien] External pressure

[Stefaan Cottenier]

> Once you do a volume optimization and make the EOS fit, the pressure
> is printed in the output file.

But assuming that the data which you have provided to eosfit correspond 
to hydrostatic conditions (b/a, c/a, angles and internal positions all 
optimized for every volume point). You do not get the full stress tensor 
info.


> Hui Wang schrieb:
>> Dear wien2k master:
>>     Can wien2k give the external pressure of the unit cell ? I know 
>> min_lapw can optimize the internal force between atoms in the unit cell, 
>> and we can get the internal forces by :FGL***. But I am more intersted 
>> the external pressure(stress) of the whole unit cell when opimizing the 
>> volumn of unit cell ? 
>