Dear All,
I am trying to calculate the bulk modulus of orthorhombic LaFeO3 which is a
G-type antiferromagnetic insulating material using the definition p {
margin-bottom: 0.1in; direction: ltr; color: rgb(0, 0, 10); line-height: 120%;
text-align: left; }p.western { font-family: "Liberation Serif",serif;
font-size: 12pt; }p.cjk { font-family: "Droid Sans Fallback"; font-size: 12pt;
}p.ctl { font-family: "FreeSans"; font-size: 12pt; }-V(dP/dV). Could you please go through the vc-relax input file (attached) for the equilibrium volume calculation for me. Thanks .. Isaac Wiafe Boateng Graduate Student Department of Chemistry Theoretical and Computational Chem. Lab KNUST, Kumasi - Ghana +233 (0) 275 632712 Alt. e-mail: boatengisaacwi...@gmail.com
vc-relax.in
Description: Binary data
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