Dear vaspmaster,
I don't understand the following section of code in the subroutine RD_POSCAR_HEAD in poscar.F
73 CALL LATTIC(LATT_CUR)
74
75 IF (LATT_CUR%OMEGA<0) THEN
76 IF (IU0>=0) &
77 WRITE(IU0,*)'ERROR: the triple product of the basis vectors ', &
78 & 'is negative exchange two basis vectors'
79 STOP
80 ENDIF
81
is there a physical reason why the triple product needs to be positive or is this just a convention ?
Thanks !
triple product of basis vectors
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ccfisch
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triple product of basis vectors
Last edited by ccfisch on Wed Sep 03, 2008 11:45 pm, edited 1 time in total.
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admin
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triple product of basis vectors
according to the conventions of crystallography, the lattice vectors have span the lattice according to the right-hand-rule.
Last edited by admin on Thu Sep 04, 2008 8:30 am, edited 1 time in total.