Dear Sanjay,<br><br>it is very difficult to suggest something without looking, at least, in your input files.<br>One idea comes to my mind - are you sure that length units are the same in both abinit and qe calculations?<br>
More specific, my suspicion is that in abinit you used unit cell in Angstroems, and put the same numbers to<br>qe input (celldm(X)). Taking into account, that celldm unit is Bohr, one can understand this discrepancy in<br>
calculated pressures: in qe the unit cell volume is almost 8(!) times smaller.<br>Hope, this helps.<br><br>Best regards,<br>Maxim.<br><br><br><div class="gmail_quote">2011/5/26 Sanjay D. Gupta <span dir="ltr"><<a href="mailto:guptasanjay.56@gmail.com">guptasanjay.56@gmail.com</a>></span><br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">Dear, PWSCF users,<br><br>Greetings!!!<br><br>Here I am facing problem of high pressure in per nitride materials. When we do scf using two different platform such as ABINIT and PWSCF, we got different pressure like abinit give nearly 20 GPa and pwscf gives 2720.7 GPa, while I am using same geometry and even same strcture. Two codes should not differ so much, so I am not clear, where i am doing mistake.<br>