Components of the stress tensor

sebastianecheverrir · Post by **sebastianecheverrir** » 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

jzwanzig · Post by **jzwanzig** » Thu Jun 04, 2015 8:01 pm

the stress tensor elements C11, C22, etc refer to cartesian directions.

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Components of the stress tensor

Components of the stress tensor

Re: Components of the stress tensor