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Wednesday, 3 October 2018

Doing Optical Calculations using VASP

at October 03, 2018

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Labels: optical calculaitons

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Reason for the Maximum index for Augmentation-charges (SET IRDMAX)" error in OUTCAR file: VASP Calculation.

"The Maximum index for Augmentation-charges (SET IRDMAX)" error is most-likely due to parallelization issues. To check this, try...

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Wednesday, 3 October 2018

Doing Optical Calculations using VASP

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Reason for the Maximum index for Augmentation-charges (SET IRDMAX)" error in OUTCAR file: VASP Calculation.