[Wien] Bader

[delamora]

Thank you, I will

Pablo
________________________________

Try looking in the lecture notes on the W2k page. I am sure you will find a Based exercise.

_____
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<http://www.numis.northwestern.edu>

On Sat, Mar 21, 2020, 20:26 delamora <delamora at unam.mx<mailto:delamora at unam.mx>> wrote:
Dear WIEN2k community
I want to do bader analysis, but I find the usersguide difficult to use for the case.inaim;
The usersguide gives two very different inputs, with "CRIT" or "SURF" in the first line
Are these the only options? What do they mean?
The first case has 5 lines and the second has 8
These lines are not explaines.

There is supposedly ".../SRC aim/Notes.txt", but I did not find it in last two WIEN2k versions, there is only "bader.ps<http://bader.ps>", but it does not deal in explaining the use of "aim"

So I need help to find how to run the aim package and how to read the results

Cheers

Pablo
_______________________________________________
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at<mailto:Wien at zeus.theochem.tuwien.ac.at>
https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!D0xs61xegbQB7LPe-UHE8597FeNLIBuRNx0zWRaCEHrU2u08CRIqBj2WOc_wRv46idWtnw$
SEARCH the MAILING-LIST at:  https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!D0xs61xegbQB7LPe-UHE8597FeNLIBuRNx0zWRaCEHrU2u08CRIqBj2WOc_wRv5837qvPQ$
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20200324/d78f401f/attachment.html>