<div dir="ltr">Dear Juerg,<br>Thank you very much for your reply.<div>Could you please let me know where I can find the detail of the method.</div><div>I am new in Md and I want to know what is ANALYTICAL or NUMERICAL calculations for example.</div><div>The only algorithm that I know is viral equations to calculate the Pressure in MD simulation</div><div>Best regards</div><div>Simin<br><div>On Friday, June 8, 2018 at 2:25:58 PM UTC+2, jgh wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">Hi
<br>
<br>definitely use ANALYTICAL.
<br>
<br>NUMERICAL is only for debugging and for some very rare cases.
<br>
<br>Juerg
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<br>Juerg Hutter                         Phone : ++41 44 635 4491
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<br>From: simin pahlavi 
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<br>Date: 06/08/2018 02:16PM
<br>Subject: [CP2K:10396] STRESS TENSOR
<br>
<br>Hello CP2K users,
<br>I have to simulate a system in high pressure condition with ab initio molecular dynamics in NPT ensamble.
<br>I am new in cp2k and I wanted to ask what kind of STRESS TENSOR calculation is more relevant?
<br>NUMERICAL? ANALYTICAL ?...
<br> Thanks in advance 
<br>Simin  
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