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
_______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html