meta-GGA

Queries about input and output files, running specific calculations, etc.


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vaspfan
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meta-GGA

#1 Post by vaspfan » Mon Feb 05, 2007 10:17 am

Dear All,

could anyone explain me the meaning of energies arising
in OUTCAR, if meta-GGA is used? More, there is no information about the functional in manual. I guess it is PKZB. Since the exchange-correlation functional is changed by using meta-GGA , all results could also change qualitatively as well as quantitatively depending on the system under consideration. Is my understanding right?

thank you in advance.
Last edited by vaspfan on Mon Feb 05, 2007 10:17 am, edited 1 time in total.
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admin
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meta-GGA

#2 Post by admin » Mon Feb 12, 2007 1:49 pm

yes.
Last edited by admin on Mon Feb 12, 2007 1:49 pm, edited 1 time in total.
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