[Wien] error in lapw1

[Peter Blaha]

It is missing the spherical potential, case.vsp

Why ??  We don't know what you have done before.

Did you run the scf cycle before ??

Is this a spin-polarized calculation ? Then you need to add -up or -dn 
switches.

PS:   x lapw1 -h    does not harm. All our scripts have a  -h  (help) 
switch which just gives you some information.

Am 30.03.2024 um 15:36 schrieb 夏宇阳:
> Dear all,
> there is a error when i do lapw1.
> it said:
> 'INILPW' - can't open unit:  18
>   'INILPW' -        filename: 001relaxed.vsp
>   'INILPW' -          status: old          form: formatted
>   'LAPW1' - INILPW aborted unsuccessfully.
> i think maybe the reason i wrongly used "lapw1 -h" to get help
> what should i do now?
> with regards
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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