[Wien] continue to restart WIEN2K from an existing charge density

[guohuaihong]

Dear  Stefaan

     Thank you very much. 
H.H.GUO

> -----原始邮件-----
> 发件人: "Stefaan Cottenier" <Stefaan.Cottenier at UGent.be>
> 发送时间: 2011年3月1日 星期二
> 收件人: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
> 抄送: 
> 主题: Re: [Wien] continue to restart WIEN2K from an existing charge density
> 
> 
> >      So my question is : Does WIEN2K can also have the ability to run a job from
> > the existing charge density?
> 
> Yes. How to do it depends on the situation:
> 
> 1) If your job was killed due to hard ware issues etc., then simply give 
> your run(sp) command as you did before (perhaps with -NI if you insist 
> on keeping your broyden history files).
> 
> 2) If it was a 'finished' job which you saved before by save_lapw -a, 
> then restore it (restore_lapw -f) and continue by run(sp).
> 
> 3) If it was saved but only by save_lapw (no -a), then initialize it 
> from scratch, do restore_lapw -f (to copy the clm* files, which contain 
> your density) and continue by run(sp).
> 
> Stefaan
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> Wien at zeus.theochem.tuwien.ac.at
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--
Magnetism and Magnetic Materials Division
Shenyang Materials Science National Laboratory
Institute of Metal Research 
Chinese Academy of Sciences
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