Search found 2 matches
- Sat Jun 04, 2022 1:36 pm
- Forum: VTSTTools
- Topic: Neb under external stress
- Replies: 2
- Views: 8195
Re: Neb under external stress
Thank you for the kind reply! So if I want to apply external shear stress, i.e. stress_13, how could I set the stress in INCAR ? Is it by PSTRESS? But in vasp PSTRESS is only set by one value, not a tensor. Thank you very much!
- Tue May 24, 2022 1:06 pm
- Forum: VTSTTools
- Topic: Neb under external stress
- Replies: 2
- Views: 8195
Neb under external stress
Dear experts,
I wonder if the VTST code could do neb under constant external shear stress. In vasp, it seems only external isotropic stress can be applpied in vasp as by PSTRESS. Thank you very much!
Best wishes
Chen
I wonder if the VTST code could do neb under constant external shear stress. In vasp, it seems only external isotropic stress can be applpied in vasp as by PSTRESS. Thank you very much!
Best wishes
Chen