[Wien] error in lapw1

[夏宇阳]

Dear prof.Blaha,
Thank you very much ,sir.
i forget it is a spin-polarized calculation.
But when i use "lapw1 -h", it doesnt give me help information,but creates a blank "-h" and "fort.12" file for me. is there anything wrong?
With regards
----- 原始邮件 -----
发件人: "Peter Blaha" <peter.blaha at tuwien.ac.at>
收件人: "wien" <wien at zeus.theochem.tuwien.ac.at>
发送时间: 星期六, 2024年 3 月 30日 下午 10:55:43
主题: Re: [Wien] error in lapw1

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
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

-- 
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300
Email: peter.blaha at tuwien.ac.at    WIEN2k: http://www.wien2k.at
WWW:   http://www.imc.tuwien.ac.at
-------------------------------------------------------------------------
_______________________________________________
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html