Effective mass calculator 1.50py
Stencil: 5
License: MIT
Developed by: Alexandr Fonari and Chris Sutton
Started at: 2017-07-08 12:28

Contents of the emc.inp file:

0.5 0.5 0.5
0.001
46
V
11.16828 0.0 0.0 
0.0 11.16828 0.0
0.0 0.0 11.16828


==========

Successfully opened EIGENVAL, preparing to parse it...

-> fd_effmass_st5: Effective mass tensor:

    44.09918855      0.00000000      0.00000000
     0.00000000     44.09918855      0.00000000
     0.00000000      0.00000000     44.09918855

Principle effective masses and directions:

Effective mass (0):        0.023
Original eigenvectors: 0.00000 0.00000 0.00000
Normal fractional coordinates: 1.00000 0.00000 0.00000

Effective mass (1):        0.023
Original eigenvectors: 0.00000 0.00000 0.00000
Normal fractional coordinates: 0.00000 1.00000 0.00000

Effective mass (2):        0.023
Original eigenvectors: 0.00000 0.00000 0.00000
Normal fractional coordinates: 0.00000 0.00000 1.00000