4. Parameters for VASP

4.1. Default parameters

VASP parameters used for Phonondb are adopted while a few parameters are modified by Custodian when the calculation is not finished.

Table 4.1.1 Default parameters for VASP

	relax-full	relax-freeze	force	nac
PREC	_	_	Accurate	Accurate
IBRION	_	_	-1	-1
NSW	_	_	_	_
EDIFFG	_	_	_	_
ADDGRID	True	True	True	True
ISIF	3	2	_	_
LEPSILON	_	_	_	True
NELMIN	5	5	5	5
SIGMA	0.02	0.02	0.02	0.02
EDIFF	1e-08	1e-08	1e-08	1e-08
ISMEAR	0	0	0	0
IALGO	38	38	38	38
LREAL	False	False	False	False
LWAVE	False	False	False	False
LCHARG	False	False	False	False