<html>
<head>
<meta http-equiv="content-type" content="text/html; charset=ISO-8859-1">
</head>
<body bgcolor="#FFFFFF" text="#000000">
Dear QE users,<br>
<br>
I am a new learner and I have two questions about the relax/vc-relax
calculation.<br>
<br>
The first is that if I do scf calculations by modifying the lattice
constant and I could obtain the lattice constant with the lowest
energy. And then on this basis if I do a relax calculation (not
vc-relax), does its work equal to that of vc-relax?<br>
<br>
The second one is about the vc-relax calculation. After got the
vc-relax result, I could find the new cell_parameters and atomic
positions from the <i>vc-relax.out</i>. Thus do I need to set the
new cell_parameters and atomic positions as the new parameters in
the file of <i>nscf.in</i>? or maybe the nscf calculation can read
the cell_parameters and atomic positions automatically from the
vc-relax.out?<br>
<br>
Thanks in advance.<br>
<br>
Best regards,<br>
<br>
Shuai<br>
<br>
--<br>
<meta http-equiv="content-type" content="text/html;
charset=ISO-8859-1">
<div style="color: rgb(136, 136, 136); font-family: arial,
sans-serif; font-size: 14px; font-style: normal; font-variant:
normal; font-weight: normal; letter-spacing: normal; line-height:
normal; orphans: auto; text-align: start; text-indent: 0px;
text-transform: none; white-space: normal; widows: auto;
word-spacing: 0px; -webkit-text-stroke-width: 0px;
background-color: rgb(255, 255, 255);"><b>Graduate School of Life
Science and Systems Engineering</b></div>
<div style="color: rgb(136, 136, 136); font-family: arial,
sans-serif; font-size: 14px; font-style: normal; font-variant:
normal; font-weight: normal; letter-spacing: normal; line-height:
normal; orphans: auto; text-align: start; text-indent: 0px;
text-transform: none; white-space: normal; widows: auto;
word-spacing: 0px; -webkit-text-stroke-width: 0px;
background-color: rgb(255, 255, 255);"><b>Kyushu Institute of
Technolog, Japan</b></div>
</body>
</html>