[Wien] Warking in SCF cycles "WARNING: EF not accurate, new emin, emax, NE-min, NE-max"

[J.H. Mokkath, FB18]

Hello Wien2k users,

My name is Mokkath, I am running wien2k_8.2 version on a Intel core (TM)2 Quad Q
6600 machine, with operating system OPENSUSE 10.3, Kernel 2.6.22.5-31, fortran
compiler ifort 10.1.015 and mlk 10.0.3.020. I was doing a spin polarized
calculation of Fe-Rh dimer. Here I am just showing first two cycles I got. 


Calculating LP20RKmax7kpoints1mixing0.2FSM4 in
/home/test2/LP20RKmax7kpoints1mixing0.2FSM4
on theo-pcr with PID 25790

    start 	(Tue May 27 11:15:28 CEST 2008) with lapw0 (40/99 to go)

    cycle 1 	(Tue May 27 11:15:28 CEST 2008) 	(40/99 to go)

>   lapw0 	(11:15:28) 32.938u 4.660s 0:37.63 99.8%	0+0k 0+0io 0pf+0w
>   lapw1  -up   	(11:16:05) 145.669u 0.456s 2:26.31 99.8%	0+0k 0+0io 0pf+0w
copy LP20RKmax7kpoints1mixing0.2FSM4.vectorup to
LP20RKmax7kpoints1mixing0.2FSM4.vectordn
>   lapw2 -up  	(11:18:32)  WARNING: EF not accurate, new
emin,emax,NE-min,NE-max -0.346661665230704     
 -0.346661658930621        32.0000000000640        34.0000000000680     
1.916u 0.072s 0:01.98 100.0%	0+0k 0+0io 0pf+0w
moving LP20RKmax7kpoints1mixing0.2FSM4.vectorup to
LP20RKmax7kpoints1mixing0.2FSM4.vectorup.old
>   lapw1  -dn   	(11:18:34) 140.992u 0.424s 2:21.55 99.9%	0+0k 0+0io 0pf+0w
copy LP20RKmax7kpoints1mixing0.2FSM4.vectordn to
LP20RKmax7kpoints1mixing0.2FSM4.vectorup
>   lapw2 -dn  	(11:20:56)  WARNING: EF not accurate, new
emin,emax,NE-min,NE-max -0.266164782854986     
 -0.266164776739598        24.0000000000480        28.0000000000560     
1.928u 0.120s 0:02.06 99.0%	0+0k 0+0io 0pf+0w
moving LP20RKmax7kpoints1mixing0.2FSM4.vectordn to
LP20RKmax7kpoints1mixing0.2FSM4.vectordn.old
>   lcore -up	(11:20:58) 0.032u 0.016s 0:00.06 66.6%	0+0k 0+0io 1pf+0w
>   lcore -dn	(11:20:58) 0.028u 0.040s 0:00.06 100.0%	0+0k 0+0io 0pf+0w
>   mixer	(11:20:58) 0.176u 0.072s 0:00.24 100.0%	0+0k 0+0io 0pf+0w
:ENERGY convergence:  0 0.001 0
:CHARGE convergence:  0 0.001 0

 


In almost all cycles I can see a warning like, 

"WARNING: EF not accurate, new emin,emax,NE-min,NE-max"

As far as I know this is only a warning and not an error..

Is this warning is a serious one????, Or is the problem with combination of
Ifort and mkl as I wrote  at the beginning of this e-mail?? 

Thanks in advance
Reply is highly appreciated,
Have a nice time,
Junais habeeb Mokkath..

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