cartesian coordiates in the imput format

[nim-hrkn]

For example, the ase module can write only ATOMIC_POSITIONS angstrom in the quantum espresso input format. In the examples, you use fractional coordinates to the unit cell vectors. interface/VASP.py uses fractional coordiates, too. It looks that interface/OpenMX.py uses cartesian coordiates, but have you encountered any accuracy problems in cartesian coordiates?

[ttadano]

I have not encountered any accuracy problems in Cartesian coordinate. Currently, ALAMODE (alm binary) only accepts fractional coordinates, so I use the fractional coordinate also for the DFT codes. OpenMX is an exception; if the fractional coordinate is used, the positions are automatically moved back to the 0<=x<1 region in OpenMX. This behavior is not convenient for getting atomic displacements from *.out files created by OpenMX.