[Wien] Error while doing AfM calculation

413119008 at nitt.edu 413119008 at nitt.edu
Fri Apr 23 07:49:04 CEST 2021


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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