[Wien] SOC in parallel

Seyyed Amir Abbas Emami a.a.emami at birjand.ac.ir
Wed Sep 9 16:45:59 CEST 2015


​Dear users

I am trying to run my calculation in  the presence of spin-orbit interaction But i have a problem as follow:

In the first cycle, after LAPWSO running, i observed this error:

A2B0.5C0.klist: No such file or directory  (my compound is A2B0.5C0.5, but the name in first of this line seems incomplete!!)
wc: A2B0.5C0.klist.tmp: No such file or directory
mist: Subscribt out of range

 also i check lapwso.error file and the following error was appeared:
Error in parallel LAPWSO

It is worth mentioning that the calculation without -p is fine.

thank you in advance.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150909/267e95a6/attachment.html>


More information about the Wien mailing list