[Wien] error in exercise 6(MgO surface slab)

夏宇阳 harriron at sjtu.edu.cn
Mon Apr 8 16:43:31 CEST 2024


Dear all,
I am doing the latest exercise 6(MgO surface slab),and there is a error when do "init_lapw -prec 1n"

STOP KGEN ENDS
NUMK: 1000
basic k-mesh: 12, 12, 2 = 288,  kfactor = .10000000000000000000
  NUMBER OF K-POINTS IN WHOLE CELL: (0 for 3 divisions of K, -1 for delta-K)
At line 243 of file main.f (unit = 5, file = 'stdin')
Fortran runtime error: Bad integer for item 1 in list input

what should i do?
Looking forward to your reply.

With regards!


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