[Wien] Error in initialization stage

2015-12-22 Thread Hu, Wenhao
Hi, All: I met a problem in the initialization stage. I’m currently testing the effect of distance between clusters in nano wire calculation. When the distance is small (size of unit cell is small), everything is initialized properly. When I increase the distance until the size of unit cell is

Re: [Wien] Error in initialization stage

2015-12-22 Thread Peter Blaha
You are running out of memory. You cannot run 70x30x30 unit cells on a PC and in sequential mode. Am 22.12.2015 um 22:00 schrieb Hu, Wenhao: Hi, All: I met a problem in the initialization stage. I’m currently testing the effect of distance between clusters in nano wire calculation. When the