Re: [SIESTA-L] MD-calculation

2006-10-22 Thread Andrei Postnikov
On Sat, 21 Oct 2006, Michael Shin wrote: | Hello Dear users | I am trying to find the Eqlubrium volume of my system. I found it from total enery calculations . now I want to find it again using MD-CG methohs. | During calculations the Pressure is fluctutating and is given below. | The

Re: [SIESTA-L] MD-calculation

2006-10-22 Thread Michael Shin
Hello Dear users I am trying to find the Eqlubrium volume of my system. I found it from total enery calculations . now I want to find it again using MD-CG methohs. I have started my calculations on Start of run: 9-OCT-2006 18:46:33 and still it is running (october 22). this 8 atom