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6.13 IGRAD parameter

IGRAD=0 saves work space, but does not allow calculations with gradient corrections (GGA) to the xc-functional. If IGRAD is set to 1, additional workspace is allocated which allows the usage of gradient corrected xc-functionals. If you try to do GGA calculations and IGRAD=0 VASP will give an error and will stop execution.

Mon Mar 29 10:38:29 MEST 1999