<div dir="ltr">Dear all,<div><br></div><div><font color="#000000" face="Times New Roman" size="3">It is known and essential to keep RMTs constant within a series of calculations. In the present case, I am doing mBJ calculations (optimized structures from CASTEP) for AB2 type compound with set of pressures ranging from 0 to 100 GPa, and my A-B distance decreasing drastically. How can I avoid RMT problem???</font><br>
</div><div><font color="#000000" face="Times New Roman" size="3"><br></font></div><div style><font color="#000000" face="Times New Roman" size="3">The other thing is, how to avoid leak out of MT sphere with lower RMT values???</font></div>
<div style><font color="#000000" face="Times New Roman" size="3"><br></font></div><div style><font color="#000000" face="Times New Roman" size="3">Please suggest me some references for choosing RMT's from lower mass to higher mass.</font></div>
<div style><font color="#000000" face="Times New Roman" size="3"><br></font></div><div style><font color="#000000" face="Times New Roman" size="3">Thanks in advance..</font></div><div style><font color="#000000" face="Times New Roman" size="3"><br>
</font></div><div style><font color="#000000" face="Times New Roman" size="3">with regards</font></div><div style><font color="#000000" face="Times New Roman" size="3">S. Appalakondaiah</font></div></div>