On 2021-09-24 14:22, Zahra Mosleh wrote:
Hi,everyone.
I want to perform Scf calculation using quantum espresso. In the Input
describtion of PW , naming an atom as X_* is allowed and
max total length cannot exceed 3 characters (Card: ATOMIC_SPECIES).
However , as I test, if X has four
Hi,everyone.
I want to perform Scf calculation using quantum espresso. In the Input
describtion of PW , naming an atom as X_* is allowed and
max total length cannot exceed 3 characters (Card: ATOMIC_SPECIES). But
, as I test, if X has three letters (for example Ni1),
an error will occure as f
