Page 1 of 1

Bader analysis for US PP

Posted: Mon Jul 29, 2013 9:41 am
by bakulin
Hello all!

I try to perfomed Bader analisis for metal/oxide heterostructure which was calculated within PP GGA91 aproximation.

I add LAECHG=.TRUE. in INCAR and get "forrtl: severe (174): SIGSEGV, segmentation fault occurred" in error-file.

How can I solve the problem?

Thanks in advance!

Bader analysis for US PP

Posted: Tue Jul 30, 2013 5:27 pm
by graeme
If you have increased NGX,Y,Z, this is likely due to a request for more memory than you have available.

Bader analysis for US PP

Posted: Fri Aug 09, 2013 7:46 am
by bakulin
I did not increas NGX,Y,Z and I tried to use more nodes. It is not solution of my problem.
Is it posible that VASP cannot write core charge density within US method?