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.
internal error in subroutine IBZKPT and SGRCON
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internal error in subroutine IBZKPT and SGRCON
Last edited by dragon on Fri Mar 05, 2010 10:27 am, edited 1 time in total.
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Re: internal error in subroutine IBZKPT and SGRCON
Hi,
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