[Wien] about information after scf cycle

Dariusz Chrobak dchrobak at us.edu.pl
Wed May 11 11:41:37 CEST 2005


Dear Wien users,

could anybody tell me what mean the following information at the end of
the scf cycle:

    cycle 1 	(śro maj 11 11:11:19 CEST 2005) 	(20/20 to go)

>   lapw0 	(11:11:19) 13.066u 0.122s 0:13.19 99.9%	0+0k 0+0io 0pf+0w
>   lapw1   	(11:11:32) 158.330u 9.277s 2:47.77 99.8%	0+0k 0+0io 0pf+0w
>   lapw2 	(11:14:20) 98.324u 2.725s 1:41.15 99.8%	0+0k 0+0io 0pf+0w
>   lcore	(11:16:01) 0.169u 0.011s 0:00.17 100.0%	0+0k 0+0io 0pf+0w
>   mixer	(11:16:01) 0.982u 0.080s 0:01.03 102.9%	0+0k 0+0io 0pf+0w
:ENERGY convergence:  0 0.0001 0
:CHARGE convergence:  0 0.0000 0
ec cc and fc_conv 0 1 1                <----- ???

I'm using ifc7.1, mkl70 and newest version of the Wien package.

Best regards 
D.Chrobak




More information about the Wien mailing list