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

[Peter Blaha]

Hi,

Where does this happen and with which version of WIEN2k.

It is on the workshop nodes or on your home computer with WIEN2k_23.

I'm aware of this problem and I think I fixed in on the workshop nodes. 
Of course it will still happen when using  WIEN2k_23 and only the next 
release will have fixed it.

Peter Blaha

Am 08.04.2024 um 16:43 schrieb 夏宇阳:
> 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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-- 
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Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email: peter.blaha at tuwien.ac.at
WWW:   http://www.imc.tuwien.ac.at      WIEN2k: http://www.wien2k.at
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