Components of the stress tensor
Posted: Mon May 18, 2015 2:30 pm
Dear Abinit users,
I have a system whose lattice vectors are defined as
e1=(0.000000, 0.707107,0.707107)
e2=(0.707107,0.000000,0.707107)
e3=(0.707107,0.707107,0.000000)
or in the abninit input file as
rprim 0.000000 0.707107 0.707107 0.707107 0.000000 0.707107 0.707107 0.707107 0.000000
I am using ABINIT to calculate the components of the stress tensor.
What reference(basis) does abinit use to report the stress values? Is is the one defined by e1, e2, e3? or is it the global-orthogonal-Cartesian x,y,z coordinate system?
Regards,
Sebastián
I have a system whose lattice vectors are defined as
e1=(0.000000, 0.707107,0.707107)
e2=(0.707107,0.000000,0.707107)
e3=(0.707107,0.707107,0.000000)
or in the abninit input file as
rprim 0.000000 0.707107 0.707107 0.707107 0.000000 0.707107 0.707107 0.707107 0.000000
I am using ABINIT to calculate the components of the stress tensor.
What reference(basis) does abinit use to report the stress values? Is is the one defined by e1, e2, e3? or is it the global-orthogonal-Cartesian x,y,z coordinate system?
Regards,
Sebastián