<br clear="all">hi all<br>i am using ev.x file given in the pw_tools directory to calculate bulk modulus and lattice parameter values of chromium. i used murnaghan equation of state to fit my data i got bulk modulus of 256 gpa where as my experimental value is 160 gpa but when i used keane equation of state to fit the same data i got 148 gpa bulk modulus <br>
<br>why is this much variation? which equation of state should i use for cr? because for vanadium and Ti murnagan euation of state has given reasonable (<20% error) values of bulk modulus but not for Cr<br><br>please give some suggestions<br>
-- <br>U.Saibabu<br>PhD student,<br>Deformation mechanisms modeling group,<br>Materials engineering department,<br>IISc Bangalore,<br>India.<br><br>