Berry Phase Calculations
Posted: Fri Jul 16, 2010 3:46 am
Dear sir
There is an error messege as shown below when I calculate berry phase approximation inplemented in vasp.
Althought the system is the insulator (Eg=1.6eV), there is the error messege like this.
=========================================
Error in subroutine BERRY: did not find all determinants
Matrix CMK is not an nxn matrix for
ISTR = 2 j = 0
=========================================
What is the problem?
There is an error messege as shown below when I calculate berry phase approximation inplemented in vasp.
Althought the system is the insulator (Eg=1.6eV), there is the error messege like this.
=========================================
Error in subroutine BERRY: did not find all determinants
Matrix CMK is not an nxn matrix for
ISTR = 2 j = 0
=========================================
What is the problem?