[Wien] Relaxation
hüsnü kara
husnukara34 at gmail.com
Sat Apr 2 07:43:58 CEST 2016
Dear Wien Users,
I try to do relaxation with the " min_lapw -p " command like in UG.
(Alternatively you can use "min_lapw -p" which is identical to:
min_lapw -j ‘‘run_lapw -I -fc 1 -p’’)
automatica
The relaxation starts and finishes
> stop
>> (mini) arrived at end -> exit
and automatically continue like below:
Fallback to compatibility mode with "old" save_lapw
broyden files deleted, clm*, dmat*, vorb*, vresp*, eece*, scf and struct
files saved under nsp_1
starting parallel dstart at Wed Mar 30 13:28:15 EEST 2016
-------- .machine0 : processors
running dstart in single mode
DSTART ENDS
438.7u 0.3s 7:19.40 99.9% 0+0k 4440+464416io 11pf+0w
6.1u 0.2s 0:06.50 98.7% 0+0k 1704+265104io 8pf+0w
clmextrapol_lapw has generated a new nsp.clmsum
LAPW0 END
again,
> stop
>> (mini) arrived at end -> exit
and again automatically continue like below:
Fallback to compatibility mode with "old" save_lapw
broyden files deleted, clm*, dmat*, vorb*, vresp*, eece*, scf and struct
files saved under nsp_2
starting parallel dstart at Fri Apr 1 10:38:06 EEST 2016
-------- .machine0 : processors
running dstart in single mode
DSTART ENDS
437.7u 0.3s 7:18.86 99.8% 0+0k 4464+464408io 11pf+0w
6.5u 0.2s 0:07.31 92.3% 0+0k 1736+265096io 8pf+0w
clmextrapol_lapw has generated a new nsp.clmsum
LAPW0 END
I do not know how long time does this cycle continue?
I want to learn about that which one is my relaxed struct file nsp_1.struct
, nsp_2.struct, nsp_?.struct.
Thanks for in advance,
Best Regards,
Hüsnü
--
Hüsnü Kara
Doktora Öğrencisi/ PhD Candidate
Yıldız Teknik Üniversitesi/ Yildiz Technical University
İstanbul / Turkey
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