PWTK 3.2 -- Scripting Interface for Quantum ESPRESSO

5.7. WorkflowsSections

TABLE OF CONTENTS

• LOBSTER
• ::pwtk::lobster
• ::pwtk::lobster::datafy
• ::pwtk::lobster::getinfo
• ::pwtk::lobster::multiplot
• ::pwtk::lobster::plot
• ::pwtk::lobster::sumdos
• ::pwtk::lobster_datafy
• ::pwtk::lobster_getinfo
• ::pwtk::lobster_multiplot
• ::pwtk::lobster_plot
• ::pwtk::lobster_run
• ::pwtk::lobster_sumdos

---

LOBSTER

DESCRIPTION

A flexible utility to perform analysis of chemical bonding with LOBSTER; requires the "lobster" executable, http://www.cohp.de/

COMMANDS

A workflow to perform the LOBSTER analysis:

• ::pwtk::lobster_run

Commands for plotting COOP, COHP...:

• ::pwtk::lobster_plot (see ::pwtk::lobster::plot)
• ::pwtk::lobster_multiplot (see ::pwtk::lobster::multiplot)

A command for summing DOSes:

• ::pwtk::lobster_sumdos (see ::pwtk::lobster::sumdos)

Commands for querying the info from and datafying the LOBSTER *CAR*.lobster files:

• ::pwtk::lobster_getinfo (see ::pwtk::lobster::getinfo)
• ::pwtk::lobster_datafy (see ::pwtk::lobster::datafy)

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