[Wien] (no subject)

tran at theochem.tuwien.ac.at tran at theochem.tuwien.ac.at
Mon Jul 22 15:35:48 CEST 2019


In lapwso.def, the files used by the lapwso program are listed.
Are all these files present in your directory and not empty?

F. Tran

On Monday 2019-07-22 15:23, Aamir Shafique wrote:

>Date: Mon, 22 Jul 2019 15:23:53
>From: Aamir Shafique <aamrshafique at gmail.com>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: wien at zeus.theochem.tuwien.ac.at
>Subject: [Wien] (no subject)
>
>
>Hello,
>I have installed Wien2k 17.1 with compiler intel-18.0.1.
>
>- Normal SCF cycles completed successfully using SCAN meta-GGA or PBE-GGA.
>
>- SOC was initiated from the command line using initso_lapw
>but I got the following error message:
>lapwso lapwso.def   failed
>
>>   stop error
>
>With Best Regards,
>
> 
>
>Aamir Shafique
>
>-----------------------------------------------------------------
>Postdoctoral fellow
>
>Physical Sciences and Engineering
>
>+ King Abdullah University of Science and Technology
>
>Thuwal 23955, Saudia Arabia.
>
>( Direct - +966  54  5351602
>
>* Email – aamir.shafique at kaust.edu.sa
>
>
>


More information about the Wien mailing list