ABINIT Discussion Forums

Hi everyone, I am a new user of abinit. I would like
to make sure that I am calculating in only Gamma point.
This is my input file for 96 atoms:
#parallelisation
paral_kgb 1
npband 8 bandpp 10
npfft 6
npkpt 8

#algorithme minimisation
fftalg 401 wfoptalg 14
iscf 17

#k-points sampling
chkprim 0
ngkpt 1 1 1
istwfk 1*1
pawxcdev 1
occopt 7 tsmear 0.005

So, with this input file, the calculation is suddenly stopped
every time. Can someone please help me? Thanks in advance.

Dear rogwar,
If you don't put a shift and have only a grid of 1x1x1 kpoints then you should have Gamma only.
Without sending the error message we cannot tell you anything bout the crash.
Please check your input with the dry mode "abinit -d" to be sure your input if fine.
Best wishes,
Eric