Dear SIESTA users, when using VIBRA 0.3's Vibrator with a unit cell of 14 atoms an error ocurrs (chkdim call on fcbuild subroutine) indicating maxa is too small. I went back to vibra.h and modified its value from 8 to 55 (for subsequent calculations). Now the utility runs ok, but are there any additional consequences of doing this that I'm not aware of?
- [SIESTA-L] Vibrator CHRISTIAN VIALES MONTERO
- Re: [SIESTA-L] Vibrator Ahmed Huzayyin
- Re: [SIESTA-L] Vibrator Sanjiv Jha
