15.07.2013 17:26, jamal sayah wrote:
I made the LiCoO2 calculated and it gives error after scf Error in LAPW1 'INILPW' - can not open unit: 18 'INILPW' - filename: LiCoO2.vsp 'INILPW' - status: old form: formatted 'LAPW1' - INILPW aborted unsuccessfully.
Maybe you have mixed spin-polarized initialization and non-spinpolarized scf cycle. The programm lapw0 prepares, in this case, files vspup and vspdn, while the program lapw1 needs vsp and cannot find it. So, if you are in w2web change the calculation information on spin-polarization.
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), 722529(Fax) E-mail: [email protected] [email protected] (office) [email protected] (home) Skype: lyuka17 (home), lyuka18 (office) http://fti.udm.ru/content/view/25/103/lang,english/ ------------------------------------------------------------------ _______________________________________________ Wien mailing list [email protected] http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/[email protected]/index.html
