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

[Masood Yousaf]

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 wishesMasood




>________________________________
> 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>
>>>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
>>>>
>>>>
>>>>
>>>>_______________________________________________
Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien 
>>>
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>>>
>>>
>>>
>>
>>
>>_______________________________________________
Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien 
>
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