Program RotVec

This program rotates the vectors for input into symgen. This program can thus be used to assist in the generation of the input to symgen that specifies the symmetry operations of the point group. This only works on the vectors with the 'vec' type as used in the rdsym subroutine in symgen.

Input data records

  1. NumVec, iUOut
  2. NumRot, (IAxis(i), RotAngle(i), i = 1, NumRot)
  3. For i = 1 to NumVec
    1. VecLab(i), (OpVec(k, i), k = 1, 3), OpMag(i), OpType(i)

Definition of the input variables

NumVec
integer, the number of vectors to operate on.
IUOut
output unit for rotated vectors.
NumRot
an integer that specifies the number of rotations to perform on each vector.
IAxis(i)
an integer that specifies the axis for a rotation, 1 for x axis, 2 for y axis, and 3 for z axis.
RotAngle(i)
a real number that specifies the angle of rotation (in degrees) to perform about the axis specified by IAxis(i).
VecLab(i)
character string (LEN = 3), code for type of specification of the axis which defines the symmetry operation. In this program this must be 'vec'.
OpVec(k, i)
real number, these define the direction of the vector before rotation.
OpMag(i)
real number, agnitude of the rotation (in degrees).
OpType(i)
character string (LEN = 5), type of symmetry operation. See the rdsym subroutine for details.