PWTK 3.1 -- Scripting Interface for Quantum ESPRESSO
5.3. Run Calculations
Sections
TABLE OF CONTENTS
5.3.4. Run Utilities
neb.x utilities
::pwtk::auto_neb
::pwtk::fast_neb
::pwtk::FASTNEB
::pwtk::manual_neb
::pwtk::neb_refine
::pwtk::neb_refine_auto
::pwtk::neb_refine_merge
::pwtk::re_spin_neb
::pwtk::SPINNEB
pw.x and cp.x utilities
::pwtk::relax
::pwtk::relax_fromPWO
::pwtk::relax_fromXSF
::pwtk::restart_fromIO
::pwtk::run_fromPWO
::pwtk::run_fromXSF
::pwtk::vc-relax
::pwtk::vc-relax_fromPWO
::pwtk::vc-relax_fromXSF
5.3.4. Run Utilities
DESCRIPTION
Collection of utility routines, associated with running the calculations.