[Pw_forum] vc-relax input file for bulk modulus calculation of LaFeO3

[Boateng Isaac Wiafe]

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: boatengisaacwiafe at gmail.com
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