[Wien] Parallel LAPW1 Error

Paresh Chandra Rout pareshchandra at iiserb.ac.in
Wed Oct 19 03:51:23 CEST 2016


Dear wien2k users and developers,

I am facing an LAPW1 error while doing single point calculation. While
initialize my calculation interactively I encounter with small G-max
warning so  I increased it to higher value. As the lapw1 crashed again and
again at the very first step so I  initialize the calculation  by
constructing the case.struct file using GUI but faced the same error. I
have attached error files and case.struct files below. Any suggestions
regarding the above mentioned error would be highly appreciated.



Kind Regards,
Paresh Chandra Rout
Graduate student
Indian Institute of Science Education and Research Bhopal
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20161019/644db772/attachment.html>


More information about the Wien mailing list