ABINIT Discussion Forums

Hi all,

I'm trying to do a nonlinear response calculation for a magnetic insulating system, namely NiO. For this I followed the tutorial and changed some_path/tutorespfn/Input/tnlo_2.in according to my needs. I use abinit-6.2.1.

But right after starting with the fifth dataset I get some error, whose source I do not understand. I attach the input file. Output and log file are too big to attach them here. Here are the last lines of them:


output:
getshell : finite difference formula of Marzari and Vanderbilt
(see Marzari and Vanderbilt, PRB 56, 12847 (1997), Appendix B)

number of first neighbours : 2
weight : 1411.3440000

number of second neighbours : 6
weight : 282.2688000


log:
...
isppol, ikpt, nband_k= 2 106 16
isppol, ikpt, nband_k= 2 107 16
isppol, ikpt, nband_k= 2 108 16
-P-0000 leave_test : synchronization done...
kpgio: loop on k-points done in parallel
-P-0000
-P-0000 leave_new : decision taken to exit ...


Of course I can give more information. If you need them, just ask.
It would be great if someone could help me.

Thanks.
Silvia Bahmann