[CPMD-list] STRESS TENSOR

[Jiri Houska]

Hi,
I calculated some stresses in amorphous materials simulated by cpmd (keyword
STRESS TENSOR, section &CPMD, results in KBar). However, the results are a bit
strange (before & after Pulay correction), may be due to the wrong +/- sign. Can
anybody confirm that for the program, the compressive stress is negative and the
tensile positive (as usual in physics)? Thanks a lot.
Jiri Houska
School of Physics
University of Sydney