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 Here's a new way to find what you're looking for - Yahoo! Answers Send FREE SMS to your friend's mobile from Yahoo! Messenger Version 8. Get it NOW