[Wien] L2main - QTL-B Error

khadija korichi k0richi at yahoo.fr
Sat Feb 11 12:40:58 CET 2017


hello wien2k users  i need your help  I am trying a spin polarized calculation for the Fe3Co/MgO/Fe3Co magnetic tunnel junction.
 However, lapw2 showing in file.log , I am having difficulty with the convergence.  Any recommendations?
korichi khadija, [08.02.17 23:34]LAPW2 - FERMI; weighs writtenL2main - QTL-B ErrorL2main - QTL-B ErrorL2main - QTL-B ErrorL2main - QTL-B ErrorL2main - QTL-B ErrorL2main - QTL-B Errorcp: impossible d'évaluer « .in.tmp »: Aucun fichier ou dossier de ce type> stop errorERROR status in small_vol__-4.0korichi khadija, [08.02.17 23:38]grep cycle small.dayfile cycle 1 (Wed Feb 8 23:26:24 CET 2017) (40/99 to go) cycle 2 (Wed Feb 8 23:26:57 CET 2017) (39/98 to go)
regards
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