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Meta GGA

Posted: Mon Feb 06, 2023 9:08 am
by IBRAHIM
Dear All,

For Meta-GAA functional it is recommended to start with preconverged wavecar of normal DFT. wiki/index.php/METAGGA

Also, LASPH=T is required.

Is it possible to use LASPH = F for the dft run then use the converged WAVECAR for Meta GAA with LASPH=T?

The WAVECAR will be read successfully in that case?

Thanks

Re: Meta GGA

Posted: Mon Feb 06, 2023 9:15 am
by fabien_tran1
Yes, LASPH=.FALSE. for GGA followed by LASPH=.TRUE. for MGGA is ok.

Re: Meta GGA

Posted: Mon Feb 06, 2023 9:24 am
by IBRAHIM
Thank you.