[Wien] Minor bug in version 9.4 mixer

[Laurence Marks]

No, add the line Jacobian=0 before it. Do not delete the line rel1=0.5,
that will lead to chaos.

On Sun, Aug 19, 2018 at 12:10 AM, Dr. K. C. Bhamu <kcbhamu85 at gmail.com>
wrote:

> In wien2k_18.1 Line number 24 is " rel1=0.5D0"
> You advised changing " rel1=0.5D0" to "Jacobian=0". Right?
>
>
>
>
> Happy Sunday!!
>
>
> regards
> Bhamu
>
>
>
> On Mon, Aug 13, 2018 at 8:34 PM, Laurence Marks <L-marks at northwestern.edu>
> wrote:
>
>> Line 24 of ScaleDiag.F, please change to
>>         Jacobian=0
>>
>> (It was a typo, the version shipped has "Jacbian")
>>
>> --
>> Professor Laurence Marks
>> "Research is to see what everybody else has seen, and to think what
>> nobody else has thought", Albert Szent-Gyorgi
>> www.numis.northwestern.edu ; Corrosion in 4D:
>> MURI4D.numis.northwestern.edu
>> Partner of the CFW 100% program for gender equity, www.cfw.org/100-percen
>> t
>> <https://urldefense.proofpoint.com/v2/url?u=http-3A__www.cfw.org_100-2Dpercent&d=DwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=-jw092glayN_2rJ9kRs7veIeo6my1fqlDSi5MBwT32g&s=s4OhJffT2utdth4fcqLZNKyvXIXlc6hVoksT9p5FK10&e=>
>> Co-Editor, Acta Cryst A
>>
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>> <https://urldefense.proofpoint.com/v2/url?u=http-3A__zeus.theochem.tuwien.ac.at_mailman_listinfo_wien&d=DwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=-jw092glayN_2rJ9kRs7veIeo6my1fqlDSi5MBwT32g&s=qS3ac9ctTaeh0fq7WiF4lTJyvbDe0vtIv16awTKZqks&e=>
>> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wi
>> en at zeus.theochem.tuwien.ac.at/index.html
>> <https://urldefense.proofpoint.com/v2/url?u=http-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_index.html&d=DwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=-jw092glayN_2rJ9kRs7veIeo6my1fqlDSi5MBwT32g&s=XusUSFKC_QDf-vbOGbiLx3n30srUth30vcrdjSPZDNg&e=>
>>
>>
>


-- 
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu ; Corrosion in 4D: MURI4D.numis.northwestern.edu
Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent
Co-Editor, Acta Cryst A
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20180819/ca21c18f/attachment.html>