Dear Ghadiyali Mohammed Kader,
alat is what you have defined as either the parameter A or the parameter
celldm(1) under the namelist. celldm(1) is in bohr and A is in
angstrom.
If you have celldm(1):
multiply the entries in CELL_PARAMETERS by celldm(1)
remove the parameter celldm(1) from the
Dear All,
It would be very helpful if someone can inform me as how to convert or define a
crystal structure in the combination of ibrav = 0 and CELL_PARAMETERS in bhor
rather than the normally used combination of ibrav = 0 and CELL_PARAMETERS in
alat.
As I what to use phononpy for the
