Functions

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::fnml::getContent ::fnml::parseContent ::pwtk::::pwtk::runPW_fromXSF ::pwtk::abort ::pwtk::atmPosToCoor ::pwtk::ATOMIC_POSITIONS_math_parser ::pwtk::backup_io ::pwtk::bands ::pwtk::bi::fprint ::pwtk::bi::get ::pwtk::bi::load_fromBI ::pwtk::bin_dir ::pwtk::bin_query ::pwtk::calcmol ::pwtk::card_math_parser ::pwtk::CELL_PARAMETERS_math_parser ::pwtk::checkForError ::pwtk::coorToAtmPos ::pwtk::cp ::pwtk::cpi::clear ::pwtk::cpi::fprint ::pwtk::cpi::get ::pwtk::cpi::load_fromCPI ::pwtk::cpi::visualize ::pwtk::davi::fprint ::pwtk::davi::get ::pwtk::davi::load_fromDAVI ::pwtk::deleteCoor ::pwtk::deleteCoorRange ::pwtk::deprecated ::pwtk::di::fprint ::pwtk::di::get ::pwtk::di::load_fromDI ::pwtk::difden::DIFDEN ::pwtk::difden::run ::pwtk::difden::segmentSpecialization ::pwtk::dmi::fprint ::pwtk::dmi::get ::pwtk::dmi::load_fromDMI ::pwtk::dos ::pwtk::dryrunCP ::pwtk::dryrunNEB ::pwtk::dryrunPW ::pwtk::dynmat ::pwtk::eelsi::fprint ::pwtk::eelsi::get ::pwtk::eelsi::load_fromEELSI ::pwtk::egrep ::pwtk::egrep_field ::pwtk::eos::EOS ::pwtk::eos::findMinimum ::pwtk::eos::run ::pwtk::error ::pwtk::evalExpr ::pwtk::f2c_number ::pwtk::file_backup ::pwtk::fileMustExist ::pwtk::findExecutable ::pwtk::firstWord ::pwtk::flo::run ::pwtk::getNAtoms ::pwtk::getNonEmptyLine ::pwtk::grep ::pwtk::grep_field ::pwtk::headname ::pwtk::hp ::pwtk::hpi::fprint ::pwtk::hpi::get ::pwtk::hpi::load_fromHPI ::pwtk::ihandle ::pwtk::import ::pwtk::input::card ::pwtk::input::cardAppend ::pwtk::input::cardClear ::pwtk::input::cardContent ::pwtk::input::cardFlags ::pwtk::input::cardGet ::pwtk::input::cardGetContent ::pwtk::input::cardGetFlags ::pwtk::input::cardPreppend ::pwtk::input::cardPrint ::pwtk::input::clear ::pwtk::input::namelist ::pwtk::input::namelistAtmSymb2Ityp ::pwtk::input::namelistClear ::pwtk::input::namelistGet ::pwtk::input::namelistGetVarValue ::pwtk::input::namelistIfSetVar ::pwtk::input::namelistPrint ::pwtk::input::peek ::pwtk::input::pop ::pwtk::input::print ::pwtk::input::printAll ::pwtk::input::push ::pwtk::input::pushpop ::pwtk::input::stack_level ::pwtk::input_handle ::pwtk::is_double ::pwtk::is_expr ::pwtk::is_int ::pwtk::is_true ::pwtk::lani::fprint ::pwtk::lani::get ::pwtk::lani::load_fromLANI ::pwtk::lineread ::pwtk::LL ::pwtk::ll_profile ::pwtk::LSF ::pwtk::lsf_profile ::pwtk::matdyn ::pwtk::mathParser ::pwtk::mdi::fprint ::pwtk::mdi::get ::pwtk::mdi::getAffix ::pwtk::mdi::load_fromMDI ::pwtk::molecularpdos ::pwtk::mpdi::fprint ::pwtk::mpdi::get ::pwtk::mpdi::load_fromMPDI ::pwtk::neb ::pwtk::nebi::clear ::pwtk::nebi::fprint ::pwtk::nebi::fprint_old ::pwtk::nebi::get ::pwtk::nebi::getAtmSymbList ::pwtk::nebi::getImage ::pwtk::nebi::getImageUnit ::pwtk::nebi::getNImages ::pwtk::nebi::load_fromNEBI ::pwtk::nebi::setImage ::pwtk::nebi::visualize ::pwtk::norm ::pwtk::norm3 ::pwtk::outdir ::pwtk::outdir_clean ::pwtk::outdir_create ::pwtk::outdir_postfix ::pwtk::outdir_prefix ::pwtk::outdir_query ::pwtk::parseRangeString ::pwtk::ph ::pwtk::phi::clear ::pwtk::phi::fprint ::pwtk::phi::get ::pwtk::phi::getAffix ::pwtk::phi::getTitle ::pwtk::phi::load_fromPHI ::pwtk::postfix ::pwtk::pp ::pwtk::ppi::fprint ::pwtk::ppi::get ::pwtk::ppi::load_fromPPI ::pwtk::prefix ::pwtk::pri::fprint ::pwtk::pri::get ::pwtk::pri::load_fromPRI ::pwtk::print ::pwtk::printTitle ::pwtk::prog ::pwtk::projwfc ::pwtk::pseudo_dir ::pwtk::purifyCoor ::pwtk::purifyVec ::pwtk::pw ::pwtk::pwi::alat ::pwtk::pwi::ATOMIC_POSITIONS_fromPWO ::pwtk::pwi::ATOMIC_POSITIONS_fromXSF ::pwtk::pwi::CELL_PARAMETERS_and_ATOMIC_POSITIONS_fromPWO ::pwtk::pwi::CELL_PARAMETERS_and_ATOMIC_POSITIONS_fromXSF ::pwtk::pwi::CELL_PARAMETERS_fromPWO ::pwtk::pwi::CELL_PARAMETERS_fromXSF ::pwtk::pwi::celldm3 ::pwtk::pwi::clear ::pwtk::pwi::coorToAtmPos ::pwtk::pwi::deleteAtoms ::pwtk::pwi::deleteAtomsRange ::pwtk::pwi::disableDipoleCorr ::pwtk::pwi::filterAtomicSpecies ::pwtk::pwi::fixAtoms ::pwtk::pwi::fixAtoms1st ::pwtk::pwi::fixAtomsLast ::pwtk::pwi::fixAtomsRange ::pwtk::pwi::fprint ::pwtk::pwi::get ::pwtk::pwi::getAllAtomicLabels ::pwtk::pwi::getAtmPos ::pwtk::pwi::getAtmPosSegment ::pwtk::pwi::getAtmSymbList ::pwtk::pwi::getAtomicLabels ::pwtk::pwi::getNAtoms ::pwtk::pwi::getNTyp ::pwtk::pwi::getPrimVec ::pwtk::pwi::getXSF ::pwtk::pwi::getXSFPrimCoor ::pwtk::pwi::getXSFPrimVec ::pwtk::pwi::ibrav ::pwtk::pwi::insertAtoms ::pwtk::pwi::load_fromPWI ::pwtk::pwi::reduceConvThr ::pwtk::pwi::replaceCoor ::pwtk::pwi::setNAtoms ::pwtk::pwi::substituteAtmType ::pwtk::pwi::tabulateStructs ::pwtk::pwi::visualize ::pwtk::pwo::alat ::pwtk::pwo::bfgs_converged ::pwtk::pwo::dipole ::pwtk::pwo::efermi ::pwtk::pwo::etot ::pwtk::pwo::getAtmPos ::pwtk::pwo::getNAtoms ::pwtk::pwo::getPrimVec ::pwtk::pwo::getStruct ::pwtk::pwo::getStructData ::pwtk::pwo::getXSF ::pwtk::pwo::getXSFPrimCoor ::pwtk::pwo::getXSFPrimVec ::pwtk::pwo::job_done ::pwtk::pwo::press ::pwtk::pwo::scferr ::pwtk::pwo::sortFiles ::pwtk::pwo::tabulateStructs ::pwtk::pwo::totene ::pwtk::pwo::toteneLine ::pwtk::pwo::totfor ::pwtk::pwo::totforLine ::pwtk::pwo::totmag ::pwtk::q2r ::pwtk::q2ri::fprint ::pwtk::q2ri::get ::pwtk::q2ri::getAffix ::pwtk::q2ri::load_fromQ2RI ::pwtk::queryMathParsing ::pwtk::queue::clear ::pwtk::queue::fprint ::pwtk::queue::get ::pwtk::queue::getBody ::pwtk::queue::getHead ::pwtk::queue::getScript ::pwtk::queue::getSpecs ::pwtk::queue::getTail ::pwtk::queue::getVar ::pwtk::queue::init ::pwtk::queue::print ::pwtk::queue::profile ::pwtk::queue::profileDefault ::pwtk::queue::QUEUE ::pwtk::queue::rerunNEB ::pwtk::queue::rerunPH ::pwtk::queue::rerunPW ::pwtk::queue::run ::pwtk::queue::runBANDS ::pwtk::queue::runDOS ::pwtk::queue::runDYNMAT ::pwtk::queue::runMOLECULARPDOS ::pwtk::queue::runMOPDOS ::pwtk::queue::runNEB ::pwtk::queue::runPH ::pwtk::queue::runPP ::pwtk::queue::runPROJWFC ::pwtk::queue::runPW ::pwtk::queue::setHead ::pwtk::queue::setSpecs ::pwtk::queue::setTail ::pwtk::queue::setVar ::pwtk::queue::submit ::pwtk::readCards ::pwtk::readFile ::pwtk::readNamelists ::pwtk::readNml ::pwtk::relaxPW ::pwtk::relaxPW_fromXSF ::pwtk::remote_exec ::pwtk::rerunCP ::pwtk::rerunDAVIDSON ::pwtk::rerunEELS ::pwtk::rerunLANCZOS ::pwtk::rerunNEB ::pwtk::rerunPH ::pwtk::rerunPW ::pwtk::restart ::pwtk::restartPW_fromPWIandPWO ::pwtk::run ::pwtk::runBANDS ::pwtk::runCP ::pwtk::runDAVIDSON ::pwtk::runDOS ::pwtk::runDYNMAT ::pwtk::runEELS ::pwtk::runFLO ::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 ::pwtk::scaleAtmPos ::pwtk::scaleCoor ::pwtk::scaleVec ::pwtk::seq ::pwtk::serial_prefix ::pwtk::sh::init ::pwtk::sh::submit ::pwtk::shiftAtmPos ::pwtk::shiftCoor ::pwtk::SLURM ::pwtk::slurm_profile ::pwtk::speci::fprint ::pwtk::speci::get ::pwtk::speci::load_fromSPECI ::pwtk::spinSetup ::pwtk::stopOnError ::pwtk::turbo_davidson ::pwtk::turbo_eels ::pwtk::turbo_lanczos ::pwtk::turbo_spectrum ::pwtk::varvalue ::pwtk::vc_relaxPW ::pwtk::vc_relaxPW_fromXSF ::pwtk::warning ::pwtk::wfcdir ::pwtk::wfcdir_clean ::pwtk::wfcdir_create ::pwtk::wfcdir_postfix ::pwtk::wfcdir_prefix ::pwtk::wfcdir_query ::pwtk::writeFile ::pwtk::xsf::getDim ::pwtk::xsf::getNAtoms ::pwtk::xsf::getPrimCoor ::pwtk::xsf::getPrimCoorUnit ::pwtk::xsf::getPrimVec ::pwtk::xsf::getPrimVecUnit

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