Hi Bupul,
 
 That means that your cell is under pressure !!
 So you should, if its necessary (that depends on the problem you are dealing 
with !!), to perform variable cell calculation,
 Where you can choose the target pressure !! (enough small)
 
 Cheers,
 Imad

----- Message d'origine ----
De : bipul rakshit <[EMAIL PROTECTED]>
À : SIESTA-L@listserv.uam.es
Envoyé le : Mercredi, 23 Août 2006, 1h21mn 45s
Objet : [SIESTA-L] Pressure in sieata

hello Siesta user,
   
  I am doing calculation on SmS. When the siesta run completes, then in the 
output file sms.out, it is written that 
  Pressure (total)   =   0.538804 kBar , at the end of the file
   
  Does it means that we are doing calculation not at zero pressure but at this 
pressure???

  If so, then how we get our calculations at zero pressure...
   


Bipul Rakshit
JRF DAE-BRNS
Computational Research Lab.
Barkatullah Universitym, Bhopal                                 
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