Tool converting between different pw.x inputs

Cell setting	ibrav=0	CELL_PARAMETERS( alat )	celldm(1)
			A
		CELL_PARAMETERS( bohr )
		CELL_PARAMETERS( angstrom )
	ibrav≠0	celldm(1:6)
		A,B,C,cosAB,cosAC,cosBC
Atomic position setting	ATOMIC_POSITIONS (alat)
	ATOMIC_POSITIONS (bohr)
	ATOMIC_POSITIONS (angstrom)
	ATOMIC_POSITIONS (crystal)

Note behind:
1. When specifying CELL_PARAMETERS, v1, v2, v3 should followthe form in INPUT_PW, to get correct ibrav.
2. alat is set to keep the norm of first line of CELL_PARAMETES equal to 1.0.

Upload file(pw.x, can also be POSCAR,cif):

Choose ouput format: 1: ibrav=0 CELL_PARAMETERS( alat ) celldm(1) 2: ibrav=0 CELL_PARAMETERS( alat ) A 3: ibrav=0 CELL_PARAMETERS( bohr ) 4: ibrav=0 CELL_PARAMETERS( angstrom ) 5: ibrav≠0 celldm(1:6) 6: ibrav≠0 A,B,C,cosAB,cosAC,cosBC

Choose ouput format: 1:ATOMIC_POSITIONS { alat } 2:ATOMIC_POSITIONS { bohr } 3:ATOMIC_POSITIONS { angstrom } 4:ATOMIC_POSITIONS { crystal }  

  

 

 

 To use the tool check the following link:

 http://www.densityflow.com/en/ibravcell.php