PWTK 2.0 -- PWscf ToolKit

4. APISections

TABLE OF CONTENTS

• 4.3. RunCalculations
• ::pwtk::dryrunCP
• ::pwtk::dryrunNEB
• ::pwtk::dryrunPW
• ::pwtk::rerunCP
• ::pwtk::rerunDAVIDSON
• ::pwtk::rerunEELS
• ::pwtk::rerunLANCZOS
• ::pwtk::rerunNEB
• ::pwtk::rerunPH
• ::pwtk::rerunPW
• ::pwtk::run
• ::pwtk::runBANDS
• ::pwtk::runCP
• ::pwtk::runDAVIDSON
• ::pwtk::runDOS
• ::pwtk::runDYNMAT
• ::pwtk::runEELS
• ::pwtk::runHP
• ::pwtk::runLANCZOS
• ::pwtk::runMATDYN
• ::pwtk::runMOLECULARPDOS
• ::pwtk::runMOPDOS
• ::pwtk::runNEB
• ::pwtk::runPH
• ::pwtk::runPP
• ::pwtk::runPROJWFC
• ::pwtk::runPW
• ::pwtk::runPW_remedy
• ::pwtk::runQ2R
• ::pwtk::runSPECTRUM
• RunAuxiliaries
• ::pwtk::bin_query
• ::pwtk::checkForError
• ::pwtk::findExecutable
• ::pwtk::ihandle
• ::pwtk::input_handle
• ::pwtk::remote_exec
• ::pwtk::restart
• ::pwtk::stopOnError
• RunUtilities
• ::pwtk::::pwtk::runPW_fromXSF
• ::pwtk::relaxPW
• ::pwtk::relaxPW_fromXSF
• ::pwtk::restartPW_fromPWIandPWO
• ::pwtk::vc_relaxPW
• ::pwtk::vc_relaxPW_fromXSF

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4.3. RunCalculations

DESCRIPTION

Routines for running calculations.

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