GGA-tag - Computational Materials Physics » Home

GGA-tag - Computational Materials Physics » Home

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日期:2025-12-24
Next: VOSKOWN-tag Up: The INCAR File Previous: LREAL-tag (and ROPT-tag) Contents Index GGA-tag GGA = 91 | PE | RP | PS | AM Default - , XC type is chosen according to POTCAR This tag was added to perform GGA calculation with pseudopotentials ......看更多