Error: (Pascal system I/O error 10 (file not found)
Kriber assumes the c-axis as the unique axis, so whenever it finds a structure with b-axis unique, it needs to apply an operation like *P121 ==>P112(Y,Z,X), at which point it will crash. As a work around, redefine a monoclinic cell A, B, C, 90, angle, 90 as B, C, A, 90, 90, angle, and it will work.
In the symdat file, always the last one in a set of equivalent space groups will work. For example for P2, it should be defined as P112 (c-axis unique).
Error: (Pascal system I/O error 10 (file not found)
Kriber assumes the c-axis as the unique axis, so whenever it finds a structure with b-axis unique, it needs to apply an operation like
*P121 ==>P112(Y,Z,X), at which point it will crash. As a work around, redefine a monoclinic cellA, B, C, 90, angle, 90asB, C, A, 90, 90, angle, and it will work.In the
symdatfile, always the last one in a set of equivalent space groups will work. For example forP2, it should be defined asP112(c-axis unique).