[Wien] WARNING: R0 for atom 1 Z= 92.00 too big Error

[Ghosh SUDDHASATTWA]

Dear Pascal, 
It indeed (I think so) is due to a compilation option. As the wien version
(October 2010) was installed using different options but does not give the
same error when I initialize the same structure. 
But I do not know where the problem is 

SG 


-----Original Message-----
From: wien-bounces at zeus.theochem.tuwien.ac.at
[mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of pascal boulet
Sent: Thursday, July 28, 2011 5:52 PM
To: A Mailing list for WIEN2k users
Subject: Re: [Wien] WARNING: R0 for atom 1 Z= 92.00 too big Error


Dear Ghosh,

I do not think that the warning is related to your compilation option.
This issue is covered in the FAC of Wien2k website:
http://www.wien2k.at/reg_user/faq/

Try first to decrease R0 in the CASE.struct file.

Hope this help
Pascal

    * Anglais - détecté
    * Anglais
    * Français

    * Anglais
    * Français

<javascript:void(0);>
_______________________________________________
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien