\BOOKMARK [1][-]{section.1}{Introduction}{}% 1
\BOOKMARK [2][-]{subsection.1.1}{What can PWscf do}{section.1}% 2
\BOOKMARK [2][-]{subsection.1.2}{People}{section.1}% 3
\BOOKMARK [2][-]{subsection.1.3}{Terms of use}{section.1}% 4
\BOOKMARK [1][-]{section.2}{Compilation}{}% 5
\BOOKMARK [1][-]{section.3}{Using PWscf}{}% 6
\BOOKMARK [2][-]{subsection.3.1}{Input data}{section.3}% 7
\BOOKMARK [2][-]{subsection.3.2}{Data files}{section.3}% 8
\BOOKMARK [2][-]{subsection.3.3}{Electronic structure calculations}{section.3}% 9
\BOOKMARK [2][-]{subsection.3.4}{Optimization and dynamics}{section.3}% 10
\BOOKMARK [2][-]{subsection.3.5}{Direct interface with CASINO}{section.3}% 11
\BOOKMARK [2][-]{subsection.3.6}{Socket interface with i-PI}{section.3}% 12
\BOOKMARK [1][-]{section.4}{Performances}{}% 13
\BOOKMARK [2][-]{subsection.4.1}{Execution time}{section.4}% 14
\BOOKMARK [2][-]{subsection.4.2}{Memory requirements}{section.4}% 15
\BOOKMARK [2][-]{subsection.4.3}{File space requirements}{section.4}% 16
\BOOKMARK [2][-]{subsection.4.4}{Parallelization issues}{section.4}% 17
\BOOKMARK [2][-]{subsection.4.5}{Understanding the time report}{section.4}% 18
\BOOKMARK [3][-]{subsubsection.4.5.1}{Serial execution}{subsection.4.5}% 19
\BOOKMARK [3][-]{subsubsection.4.5.2}{Parallel execution}{subsection.4.5}% 20
\BOOKMARK [2][-]{subsection.4.6}{Restarting}{section.4}% 21
\BOOKMARK [3][-]{subsubsection.4.6.1}{Signal trapping \(experimental!\)}{subsection.4.6}% 22
\BOOKMARK [1][-]{section.5}{Troubleshooting}{}% 23
\BOOKMARK [2][-]{subsection.5.1}{Compilation problems with PLUMED}{section.5}% 24
