<div dir="ltr">Dear Wien2k users,<div><br></div><div> I have two queries;</div><div><br></div><div>(1) Should we have to do force minimization <b>simultaneously</b> for each step (a) V optimization, (b) c/a optimization, (c) b/a
optimization for a orthorhombic crystal?</div><div><br></div><div>(2) After a, b, c optimization should we have to do force minimization again? (I think yes!)</div><div><br></div><div>with regards,<br clear="all"><div><br></div>-- <br><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div style="font-size:small">Dr. Shamik Chakrabarti</div><div style="font-size:small">Research Fellow </div><div style="font-size:small">Department of Physics</div><div style="font-size:small">Indian Institute of Technology Patna</div><div style="font-size:small">Bihta-801103</div><div style="font-size:small">Patna</div><div style="font-size:small">Bihar, India</div></div></div></div></div></div></div></div></div></div>