How to calculate the dielectric constant tensor and born effective charge tensor
Posted: Fri Feb 09, 2024 9:41 pm
Hi admin and VASP users,
I would like to calculate the dielectric constant tensor and Born effective charge tensor with METAGGA=R2SCAN. However, I get the following error:
Is there an alternative way to calculate this with METAGGA=R2SCAN?
I would like to calculate the dielectric constant tensor and Born effective charge tensor with METAGGA=R2SCAN. However, I get the following error:
Code: Select all
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| |
| 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 ### ### ### |
| |
| You have switched on METAGGA and linear-response routines. This |
| combination is currently not supported. If you have selected |
| LOPTICS=.TRUE., VASP will continue but some matrix elements [H,r] |
| are neglected (you might try to use LPEAD=.TRUE. which works |
| irrespective of H). In all other cases, VASP will stop. SOOO |
| sorry... |
| |
| ----> I REFUSE TO CONTINUE WITH THIS SICK JOB ... BYE!!! <---- |
| |
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