QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: abc123def on October 24, 2016, 14:49

Title: Back Engine Exception : Incompatible matrix dimensions; sparsematrixutils.cpp:31
Post by: abc123def on October 24, 2016, 14:49

I am trying to do some calculations on BCC and FCC Ta lttice, using noncollinear spin - orbit coupling and GGA exchange correlation. However, every time I try to run this, the calculations stop after some time showing an error:  -

** Back Engine Exception : Incompatible matrix dimensions.
** Location of Exception : sparsematrixutils.cpp:31

I do not know where the problem is. I have attached a test code I used for calculating force. I have also attached the log file.

P.S. This error is not showing up when I use normal GGA without spin-orbit coupling.

Please help me understand where the problem is.

Tank you.

Title: Re: Back Engine Exception : Incompatible matrix dimensions; sparsematrixutils.cpp:31
Post by: Anders Blom on October 24, 2016, 15:20

You can't compute forces with TB09, the model doesn't contain that information.