On 22.06.2012 13:23, Mouna Mesbahi wrote: > wien2k_11 and my system is CuInSe2 nonmagnetic calcul , but > the system will stop in the third scf cycle stages the in lapw2 it > displays" error in lapw2" note: the scf cycle 1 and 2 normal ending
Dear Mouna Mesbahi, Nobody is able to solve the problem with such a small information from you. You have to send error files, dayfile, struct file, describe options of the fortran installation, WIEN2k compilation, your case initialization and execution. After this, maybe, we'll be able to advice you where to find the mistake. Best wishes Lyudmila Dobysheva ------------------------------------------------------------------ Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci. 426001 Izhevsk, ul.Kirova 132 RUSSIA ------------------------------------------------------------------ Tel.:7(3412) 442118 (home), 218988(office), 250614(Fax) E-mail: lyu at otf.pti.udm.ru lyuka17 at mail.ru Skype: lyuka17, lyuka18 http://fti.udm.ru/content/view/25/103/lang,english/ ------------------------------------------------------------------