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
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bakulin
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Bader analysis for US PP
Last edited by bakulin on Mon Jul 29, 2013 9:41 am, edited 1 time in total.
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graeme
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Bader analysis for US PP
If you have increased NGX,Y,Z, this is likely due to a request for more memory than you have available.
Last edited by graeme on Tue Jul 30, 2013 5:27 pm, edited 1 time in total.
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bakulin
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Bader analysis for US PP
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?
Is it posible that VASP cannot write core charge density within US method?
Last edited by bakulin on Fri Aug 09, 2013 7:46 am, edited 1 time in total.