[Wien] At least on the NSF supercomputer Trestles, the line "sleep $delay" in lapw1para_lapw should not be commented out

2015-04-02 Thread David Olmsted
I am running WIEN2k_14.2 (Release 15/10/2014). The clusters I use all use torque. In lapw1para_lapw, in an initial section where options are set, there is a line giving a default for "delay" of set delay = 0.1 # delay launching of processes by n seconds In a parallel_opt

Re: [Wien] ROTDEF - Error

2015-04-02 Thread Temuujin Bayaraa
Ok. Thank you very much. I think i understand it now. On Thu, Apr 2, 2015 at 3:14 PM, Peter Blaha wrote: > It is the structure i would like to simulate and is it possible to do with >> Wien2k? >> or i can just simulate 1 thin slab with vacuum? >> > > Did you look at this structure ? Do you th