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
So what is your question??? You should present the problem, then explain what happened and at the end try to ask the question. Here you present only what came out in the screen and you expect that people will decipher it. Pablo De: Wien

[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