[Wien] SCF Cycle's problem at WIEN2k 19.1

tran at theochem.tuwien.ac.at tran at theochem.tuwien.ac.at
Thu Oct 10 10:47:54 CEST 2019


Hi,

The solution should be here:
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18771.html

As written, delete
15,'$file.tmp$updn',       'scratch','unformatted',0
in the file $WIENROOT/x_lapw

F. Tran

On Thursday 2019-10-10 09:05, 河上 匠 wrote:
>Date: Thu, 10 Oct 2019 09:05:55
>From: 河上 匠 <kawakami.takumi at i.mbox.nagoya-u.ac.jp>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: wien at zeus.theochem.tuwien.ac.at
>Subject: [Wien] SCF Cycle's problem at WIEN2k 19.1
>
> Dear WIEN2k users,
>
> I am a beginner of WIEN2k.
> I am trying to calculate TiC, but the error occurred during processing of SCF 
> Cycle.
>
> In show STDOUT, SCF Cycle stops at the next step:
>
> hup: Command not found.
> STOP  LAPW0 END
> STOP  LAPW1 END
> STOP LAPW2 - Error. Check file lapw2.error
>
>>   stop error
>
> And the following error message is displayed:
>
> 'LAPW2' - can't open unit: 15
> 'LAPW2' -        filename: TiC.tmp
> 'LAPW2' -          status: scratch      form: unformatted
>
> Could you tell me how to solve this problem?
>
> Sincerely yours,
> Takumi Kawakami
>
> -- 
> -----------------------------------------------
> Nagoya Univercity
> Takumi Kawakami
> E-mail:kawakami.takumi at i.mbox.nagoya-u.ac.jp
> -----------------------------------------------
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