[Wien] Error in (x joint) calculating optical properties.

Gavin Abo gsabo at crimson.ua.edu
Mon Aug 27 18:02:57 CEST 2012


They should be created in your case folder, which seems to be called LDA.

In the LDA folder in a terminal,

*touch LDA.symmat1
touch LDA.symmat2*

will create the blank files.

However, the fixed x_lapw script (and opticpara_lapw script) in the 
thread are the recommended solution.

On 8/27/2012 9:27 AM, Masood Yousaf wrote:
> Thank you Sir,
>
> Your attached Thread propose the fallowing solution.
> /"You could create a blank "Fe.symmat1up" and rerun x joint for the time being"
> /
>
> Would you explain how to creat this blank "Fe.symmat1"/and where to 
> put this ? /I am new in this area so kindly eleborate it . /
> /
> Your's Affectionately
> Masood
>
>     ------------------------------------------------------------------------
>     *From:* Gavin Abo <gsabo at crimson.ua.edu>
>     *To:* A Mailing list for WIEN2k users
>     <wien at zeus.theochem.tuwien.ac.at>
>     *Sent:* Monday, August 27, 2012 11:06 PM
>     *Subject:* Re: [Wien] Error in (x joint) calculating optical
>     properties.
>
>     Use Wien2k 12.1 with the fixes or see:
>
>     http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-July/017282.html
>
>     On 8/27/2012 6:27 AM, Masood Yousaf wrote:
>>     Respected Wien2k Users,
>>
>>     Kindly see this error message and suggest me some solution. I am
>>     using wien2k version 11 in Work station T7500 with 4 processors
>>     in parallel computation.
>>
>>     'JOINT' -  can't open unit: 23
>>      'JOINT' -  filename: LDA.symmat1
>>      'JOINT' -  status: OLD          form: FORMATTED
>>
>>
>>
>>     Best wishes
>>     Masood
>>
>>
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>
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>
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