Regarding the sequence of the elements
Posted: Mon Jan 29, 2024 12:22 am
Hello everyone,
What happens if the sequence of the elements in the POSCAR and the POTCAR are not the same ?? I got the following message in the attachment when there sequence was reverse in POTCAR compared to POSCAR
What happens if the sequence of the elements in the POSCAR and the POTCAR are not the same ?? I got the following message in the attachment when there sequence was reverse in POTCAR compared to POSCAR