Dear ???
I believe you should write "ATOMIC_POSITIONS alat" instead of
"ATOMIC_POSITIONS(alat)"
HTH,
L.
On 16/02/2024 10:35, wangzongyi via users wrote:
Dear all
I am new to QE, I have just tried to test my first calculation file by
using QE6.6. However, the program broke down, I don't w
Dear all
I am new to QE, I have just tried to test my first calculation file by using
QE6.6. However, the program broke down, I don't what happened, could you please
help me?
my input file is
&CONTROL
calculation='scf',
restart_mode='from_scratch',
prefix='si',
pseudo_dir='./'
outdir='../tmp/',
