[Wien] Precise positions overwritten

[Wahid Kamal]

Dear Prof Laurence Marks,
Thank you very much

Le dim. 18 juil. 2021 à 01:34, Laurence Marks <laurence.marks at gmail.com> a
écrit :

> The positions in the main body of case.struct are limited precision, 8
> digits, which is not good enough. At the end are positions to much higher
> accuracy, 16 digits. Sometimes the two sets are inconsistent, in which case
> what you said gets reported
>
> It normally only happens once. You can check with x patchsymm.
>
> ---
> Prof Laurence Marks
> "Research is to see what everyone else has seen, and to think what nobody
> else has thought", Albert Szent-Györgyi
> www.numis.northwestern.edu
>
> On Sat, Jul 17, 2021, 18:50 Wahid Kamal <kamal.wahhid at gmail.com> wrote:
>
>> Dear Wien2k users:
>> what is the meaning of this error message which appears after lapw0
>> lapw1 and lapw2
>>
>> "Precise positions overwritten -3.079555000000000E-009   1.00000000000000"
>>
>> Thank you
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>>
>> https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!CG4yvjHAPeOvJUDjVcR7i5CBnuzCR3ytKDOW5nhZMSO1DOvE4Nt0m87XlK8PUhSphfA57A$
>> SEARCH the MAILING-LIST at:
>> https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!CG4yvjHAPeOvJUDjVcR7i5CBnuzCR3ytKDOW5nhZMSO1DOvE4Nt0m87XlK8PUhRVffFFxw$
>>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20210718/92a45df6/attachment.htm>