Re: [Wien] Hi calculation elastic constants of hexagonal structure error

2016-12-10 Thread Gavin Abo
Looks basically the same as the kgen error in the post at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05507.html As derived from that post, a problem probably occurred and was ignored earlier during the execution of the elastic program (I didn't try to deduce which one

Re: [Wien] Hi calculation elastic constants of hexagonal structure error

2016-12-10 Thread delamora
oun...@zeus.theochem.tuwien.ac.at> en nombre de guendouz nadin <guendouz.na...@yahoo.fr> Enviado: sábado, 10 de diciembre de 2016 10:12:09 a. m. Para: wien@zeus.theochem.tuwien.ac.at Asunto: [Wien] Hi calculation elastic constants of hexagonal structure error inversion is NOT present > input f

[Wien] Hi calculation elastic constants of hexagonal structure error

2016-12-10 Thread guendouz nadin
inversion is NOT present >   input files forlapw1c/2c prepared, no inversion present   (14:36:47)   next is kgen forrtl: severe (24): end-of-file during read, unit 20, file /home/nadin/WIEN2k/KZnSb-Wurtz-GGA/elast-constant/c11+c12/KZnSb-Wurtz-GGA/KZnSb-Wurtz-GGA.struct  Image  PC