[Wien] lapw1.error

[Mohammed Abujafar]

Dear WIEN2k users,Hi,I am trying to do interface calculations.I have built my interface without any problem.The initialization was done successfuly.When I start running the scf I got the following: LAPW0 END
SELECT - Error

>   stop error
--------------------------------------------------------------------------------------
 start 	(Tue Feb  3 17:10:02 CET 2015) with lapw0 (40/99 to go)

    cycle 1 	(Tue Feb  3 17:10:02 CET 2015) 	(40/99 to go)

>   lapw0 	(17:10:02) 18.526u 0.239s 0:18.99 98.7%	0+0k 15416+12552io 3pf+0w
>   lapw1     -c 	(17:10:21) 0.321u 0.018s 0:00.40 82.5%	0+0k 3224+2504io 1pf+0w

>   stop error
-------------------------------------------------------------------------------------------------------------------------------------------I have checked out the lapw1.error , I found the following:

 'SELECT' - no energy limits found for atom   7  L= 0                          
 'SELECT' - E-bottom   -8.58284   E-top -200.00000                             
===================================================================================How can I solve this error? Your help is so appreciated.With best regardsMohammed



-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150203/ec0508d1/attachment.html>