internal error in subroutine IBZKPT and SGRCON
Posted: Fri Mar 05, 2010 10:27 am
hello,
there are some things wrong with my program
"
vasp.5.2.2 15Apr09 complex
POSCAR found : 1 types and 2 ions
LDA part: xc-table for Ceperly-Alder, standard interpolation
VERY BAD NEWS! internal error in subroutine IBZKPT:
Reciprocal lattice and k-lattice belong to different class of lattices. Often results are still useful... 48
VERY BAD NEWS! internal error in subroutine SGRCON:
Found some non-integer element in rotation matrix 3
"
looking forward your help.
there are some things wrong with my program
"
vasp.5.2.2 15Apr09 complex
POSCAR found : 1 types and 2 ions
LDA part: xc-table for Ceperly-Alder, standard interpolation
VERY BAD NEWS! internal error in subroutine IBZKPT:
Reciprocal lattice and k-lattice belong to different class of lattices. Often results are still useful... 48
VERY BAD NEWS! internal error in subroutine SGRCON:
Found some non-integer element in rotation matrix 3
"
looking forward your help.