Topics

1

General Questions and Answers / mesh cutoff

« on: August 8, 2012, 15:46 »

Dear Sir,
i mistakenly took mesh cutoff to be very low around 10 Ryd..is it very necessary to change it becoz i already have done lot of work considering this value..my work relates with stress effect on conductance in nanotubes..
kindly reply soon

2

General Questions and Answers / analysis of stress matrix.

« on: January 27, 2012, 11:04 »

dear Sir,
i got this stress matrix while calculating the stress of Carbon nanotube(4,0).Can u please tell me how to analyse it?

+------------------------------------------------------------------------------+
| Stress Report                                                                |
+------------------------------------------------------------------------------+
| [[  1.03412729e-04  -1.17407972e-10  -4.04151233e-16]                        |
|  [ -1.17407962e-10   1.03403618e-04   3.19191328e-16]                        |
|  [ -3.99930790e-16   3.17743407e-16   2.82561654e-02]] eV/Ang**3             |
+------------------------------------------------------------------------------+