Of course we cannot correct your input file without any details. It
might be that your struct file for an AFM setup is wrong too.
I suggest that you do a normal spinpolarized calculation (runsp_lapw).
Make sure that your case.insp file is properly initialized. You should run
instgen -ask BEFORE init_lapw and define spin-up/dn or non-magnetic
(eg. O atoms) properly.
Regards
Am 23.04.2021 um 07:49 schrieb 413119...@nitt.edu:
sir
Iam using wien2k 19.2 in my ubuntu system.while running scf
calculation for3 atom system AFM, iam getting the following error
stop error
#10 0xffffffffffffffff
#9 0x55eac48ddf09
#8 0x1470ab12dbf6
#7 0x55eac48ddede
#6 0x55eac48dfc98
#5 0x1470aba28379
#4 0x1470aba26e9a
#3 0x1470aba23ba4
#2 0x1470ab8b769d
#1 0x1470ab8b6ed5
#0 0x1470ab8b632a
Error termination. Backtrace:
Fortran runtime error: Bad integer for item 6 in list input
At line 41 of file struct_afm_check.f (unit = 5, file =
'NaYbO2.inclmcopy')
whether this error occure due to wrong rotational vector.If yes how
can i choose correct one for my compound
with Regrads
Narayanan Nambooodir P
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