1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
|
<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 3.2 Final//EN">
<!--Converted with LaTeX2HTML 2008 (1.71)
original version by: Nikos Drakos, CBLU, University of Leeds
* revised and updated by: Marcus Hennecke, Ross Moore, Herb Swan
* with significant contributions from:
Jens Lippmann, Marek Rouchal, Martin Wilck and others -->
<HTML>
<HEAD>
<TITLE>Contents</TITLE>
<META NAME="description" CONTENT="Contents">
<META NAME="keywords" CONTENT="user_guide">
<META NAME="resource-type" CONTENT="document">
<META NAME="distribution" CONTENT="global">
<META NAME="Generator" CONTENT="LaTeX2HTML v2008">
<META HTTP-EQUIV="Content-Style-Type" CONTENT="text/css">
<LINK REL="STYLESHEET" HREF="user_guide.css">
<LINK REL="next" HREF="node2.html">
<LINK REL="previous" HREF="user_guide.html">
<LINK REL="up" HREF="user_guide.html">
<LINK REL="next" HREF="node2.html">
</HEAD>
<BODY >
<!--Navigation Panel-->
<A NAME="tex2html84"
HREF="node2.html">
<IMG WIDTH="37" HEIGHT="24" ALIGN="BOTTOM" BORDER="0" ALT="next" SRC="next.png"></A>
<A NAME="tex2html82"
HREF="user_guide.html">
<IMG WIDTH="26" HEIGHT="24" ALIGN="BOTTOM" BORDER="0" ALT="up" SRC="up.png"></A>
<A NAME="tex2html76"
HREF="user_guide.html">
<IMG WIDTH="63" HEIGHT="24" ALIGN="BOTTOM" BORDER="0" ALT="previous" SRC="prev.png"></A>
<BR>
<B> Next:</B> <A NAME="tex2html85"
HREF="node2.html">1 Introduction</A>
<B> Up:</B> <A NAME="tex2html83"
HREF="user_guide.html">User's Guide for the</A>
<B> Previous:</B> <A NAME="tex2html77"
HREF="user_guide.html">User's Guide for the</A>
<BR>
<BR>
<!--End of Navigation Panel-->
<BR>
<H2><A NAME="SECTION00010000000000000000">
Contents</A>
</H2>
<!--Table of Contents-->
<UL>
<LI><A NAME="tex2html86"
HREF="node2.html">1 Introduction</A>
<UL>
<LI><A NAME="tex2html87"
HREF="node3.html">1.1 What can PWscf do</A>
<LI><A NAME="tex2html88"
HREF="node4.html">1.2 People</A>
<LI><A NAME="tex2html89"
HREF="node5.html">1.3 Terms of use</A>
</UL>
<BR>
<LI><A NAME="tex2html90"
HREF="node6.html">2 Compilation</A>
<LI><A NAME="tex2html91"
HREF="node7.html">3 Using PWscf</A>
<UL>
<LI><A NAME="tex2html92"
HREF="node8.html">3.1 Input data</A>
<LI><A NAME="tex2html93"
HREF="node9.html">3.2 Data files</A>
<LI><A NAME="tex2html94"
HREF="node10.html">3.3 Electronic structure calculations</A>
<LI><A NAME="tex2html95"
HREF="node11.html">3.4 Optimization and dynamics</A>
<LI><A NAME="tex2html96"
HREF="node12.html">3.5 Direct interface with CASINO</A>
</UL>
<BR>
<LI><A NAME="tex2html97"
HREF="node13.html">4 Performances</A>
<UL>
<LI><A NAME="tex2html98"
HREF="node14.html">4.1 Execution time</A>
<LI><A NAME="tex2html99"
HREF="node15.html">4.2 Memory requirements</A>
<LI><A NAME="tex2html100"
HREF="node16.html">4.3 File space requirements</A>
<LI><A NAME="tex2html101"
HREF="node17.html">4.4 Parallelization issues</A>
<LI><A NAME="tex2html102"
HREF="node18.html">4.5 Understanding the time report</A>
<UL>
<LI><A NAME="tex2html103"
HREF="node18.html#SECTION00055100000000000000">4.5.1 Serial execution</A>
<LI><A NAME="tex2html104"
HREF="node18.html#SECTION00055200000000000000">4.5.2 Parallel execution</A>
</UL>
</UL>
<BR>
<LI><A NAME="tex2html105"
HREF="node19.html">5 Troubleshooting</A>
<UL>
<LI><A NAME="tex2html106"
HREF="node20.html">5.1 Compilation problems with PLUMED</A>
</UL>
<BR>
<LI><A NAME="tex2html107"
HREF="node21.html">About this document ...</A>
</UL>
<!--End of Table of Contents-->
<P>
<BR><HR>
<ADDRESS>
paolo giannozzi
2014-05-28
</ADDRESS>
</BODY>
</HTML>
|
