<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:12pt"><div>Dear Prof. Blaha,</div><div>I am studying possible pressure-induced transition for some compounds.</div><div>stefaan guide me how i can calculate Gibbs energy and find the pressure.</div><br><div>He told me "<tt>you can easily
</tt><tt>calculated the enthalpy H=E+PV using case.eosfit and case.eosfitb. Repeat for the second phase, and see at
</tt><tt>which pressure the two enthalpy curves intersect."</tt></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: monospace; background-color: transparent; font-style: normal;"><tt><br></tt></div><div>i did it but the two enthalpy
curves are almost the same and it is difficult finding the position
which two enthalpy curves intersect.</div><div>usually
in paper they find difference of enthalpy energy from two phases and
therefore the pressure which in it DeltaG or DeltaH=0</div><div><br></div><div>i
would like to use this method. but when i check case.eosfitb file for
two phases i see the values of pressure are different for example</div><div>case1.eosfitb case2.eosfitb</div><div> V1 E1 8.4 V2 E2 8.9<br></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;"> " " 8.1 " " 8.7<br></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue,Helvetica
Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;"> " " 8.01 " " 8.5<br></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;"> " " 8.08</div><div style="color: rgb(0, 0, 0);
font-size: 16px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;">can you guide me how i can find DeltaG when the value of pressure are different?</div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;"><br></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;">Sincerely</div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;">Mahdi<br></div><div></div></div></body></html>