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VASP 6.4.2 METAGGA problem

Posted: Wed Jan 03, 2024 1:44 pm
by yuguiyao
I compile the 6.4.2 version and tried it with metagga=R2SCAN
I got the following tips of error, but when I returned back to GGA, it works properly. Any tips to fix it?


POSCAR found : 6 types and 35 ions
-----------------------------------------------------------------------------
| |
| EEEEEEE RRRRRR RRRRRR OOOOOOO RRRRRR ### ### ### |
| E R R R R O O R R ### ### ### |
| E R R R R O O R R ### ### ### |
| EEEEE RRRRRR RRRRRR O O RRRRRR # # # |
| E R R R R O O R R |
| E R R R R O O R R ### ### ### |
| EEEEEEE R R R R OOOOOOO R R ### ### ### |
| |
| Error: This functional is not implemented. |
| |
| ----> I REFUSE TO CONTINUE WITH THIS SICK JOB ... BYE!!! <---- |
| |
-----------------------------------------------------------------------------

Re: VASP 6.4.2 METAGGA problem

Posted: Wed Jan 03, 2024 2:14 pm
by svijay
Dear yuguiyao,

Please supply VASP input and output files in accordance with the forum guidelines here: https://www.vasp.at/forum/viewtopic.php?t=17928. Additionally, please make sure to supply a minimal working example in case of specific queries: https://www.vasp.at/wiki/index.php/Mini ... le_example; thank you!

Sudarshan