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

[Gavin Abo]

By "touch"  you mean just click on the file? No, it is a command line or 
terminal program that is usually installed on Linux systems:

http://www.howtogeek.com/74667/how-to-use-touch-to-create-empty-files-and-modify-timestamps/

In the graphic user interface (GUI) where you can click, you can 
probably right-click and create each empty file (LDA.symmat1 or 
LDA.symmat2) from a selection in the menu.

On 8/27/2012 10:32 AM, Masood Yousaf wrote:
> Respected Gavin
> Sorry for bothering again.
>
> In my Case folder there is no such file LDA.symmat1 or LDA.symmat2. By 
> "touch"  you mean just click on the file ? There are similar 9 files 
> which are
> LDA.symmat
> LDA.symmat_11
> LDA.symmat_12
> LDA.symmat_21
> LDA.symmat_31
> LDA.symmat_32
> LDA.symmat_41
> LDA.symmat_42
>
> Best wishes
> Masood
>
>     ------------------------------------------------------------------------
>     *From:* Gavin Abo <gsabo at crimson.ua.edu>
>     *To:* A Mailing list for WIEN2k users
>     <wien at zeus.theochem.tuwien.ac.at>
>     *Sent:* Tuesday, August 28, 2012 12:02 AM
>     *Subject:* Re: [Wien] Error in (x joint) calculating optical
>     properties.
>
>     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>
>>         <mailto:gsabo at crimson.ua.edu>
>>         *To:* A Mailing list for WIEN2k users
>>         <wien at zeus.theochem.tuwien.ac.at>
>>         <mailto: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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>>>         Wien mailing list
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>>
>>
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>>
>>
>>
>>
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>
>
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