When running a calculation with fixed volume the automatic atoms to close subroutine is called even if the INCAR specifics no change in volume.
For a calculation example see the attached files.
The ting to note in the example is that the original POSCAR file and the finished CONTCAR file differ in volume even tho all the three INCAR files specify ISIF = 5, 4 and 2.
Never mind the test case, github does not support vasp input files and it is to much of a hazel to save them as some thing else. If a use case when the problem is observed is needed I can email the complete input and output.
When running a calculation with fixed volume the automatic atoms to close subroutine is called even if the INCAR specifics no change in volume.
For a calculation example see the attached files.
The ting to note in the example is that the original POSCAR file and the finished CONTCAR file differ in volume even tho all the three INCAR files specify ISIF = 5, 4 and 2.
Never mind the test case, github does not support vasp input files and it is to much of a hazel to save them as some thing else. If a use case when the problem is observed is needed I can email the complete input and output.