Index of /kokalj/internal/pwtk-3.0rc12/doc/examples

[ICO]NameLast modifiedSizeDescription
[PARENTDIR]Parent Directory  -  
[ ]CO-Rh100-c2x2-2L.xsf2021-04-30 20:32 361  
[ ]NO-Rh100-c2x2-2L.xsf2024-04-17 12:23 361  
[ ]scf.Cu.in2024-04-22 09:13 587  
[ ]eos-Si.pwtk2024-04-05 13:24 637  
[ ]relax.OAl111-1x1-2L.in2024-04-15 15:11 721  
[ ]H2O.pwtk2024-04-22 09:12 804  
[ ]neb-N2OPd.pwtk2024-04-05 13:21 839  
[ ]Cu.pwtk2024-04-22 09:12 849  
[ ]Si.pwtk2024-04-22 09:13 871  
[ ]bader-OAl.pwtk2024-04-05 13:32 884  
[ ]stopOnError.pwtk2024-04-20 12:43 939  
[ ]CORh.pwtk2024-04-22 09:12 1.0K 
[ ]calcmol.pwtk2024-04-22 09:11 1.1K 
[ ]environ.pwtk2024-04-05 13:23 1.1K 
[ ]neb-refine.pwtk2024-04-21 12:32 1.1K 
[ ]neb_vs_flo_vs_sbco.pwtk2024-04-05 13:41 1.1K 
[ ]flo-N2OPd.pwtk2024-04-17 13:43 1.2K 
[ ]FeO.pwtk2024-04-02 15:35 1.2K 
[ ]pseudo.pwtk2024-04-18 12:10 1.3K 
[ ]Mn-in-NiO100.pwtk2024-04-17 11:20 1.3K 
[ ]artn.pwtk2024-04-22 09:10 1.4K 
[ ]scf.OAl.in2024-04-22 09:13 1.4K 
[ ]sbco-N2OPd.pwtk2024-04-20 16:00 1.5K 
[ ]remedy.pwtk2024-04-17 11:36 1.6K 
[ ]plotting.pwtk2024-04-18 13:05 1.6K 
[ ]tabulate.pwtk2024-04-17 15:27 1.7K 
[ ]treatrun.pwtk2024-04-17 13:54 1.7K 
[ ]simple-Si.pwtk2024-04-16 20:33 1.8K 
[ ]slurm-simple.pwtk2024-04-05 14:59 1.9K 
[ ]data-stack-aux.pwtk2024-04-18 12:20 1.9K 
[ ]pdos-Fe.pwtk2024-04-22 09:13 2.2K 
[ ]hp-composite.pwtk2024-04-17 07:09 2.3K 
[ ]xxxrun.pwtk2024-04-20 12:47 2.5K 
[ ]Al-vacancy.pwtk2024-04-22 09:07 2.5K 
[ ]propagate.pwtk2024-04-20 12:50 2.5K 
[ ]vib-mol-spectra.pwtk2024-04-17 07:30 2.5K 
[ ]scan-Si.pwtk2024-04-05 13:30 2.6K 
[ ]N2OPd.pwtk2024-04-20 10:26 2.7K 
[ ]difden-OAl.pwtk2024-04-05 13:32 2.7K 
[TXT]eos-Si_pwtk42E320Workflow20Examples2F312Deos2DSi.html2024-04-22 11:50 2.8K 
[ ]hp.pwtk2024-04-17 07:11 3.1K 
[TXT]bader-OAl_pwtk42E320Workflow20Examples2F342Dbader2DOAl.html2024-04-22 11:50 3.1K 
[ ]slurm-configurable.pwtk2024-04-20 13:00 3.2K 
[TXT]neb-N2OPd_pwtk42E320Workflow20Examples2F36a2Dneb2DN2OPd.html2024-04-22 11:50 3.3K 
[TXT]stopOnError_pwtk42E620Run20Modifiers20Examples2F642DstopOnError.html2024-04-22 11:50 3.4K 
[ ]scanpar-Si.pwtk2024-04-09 15:59 3.5K 
[ ]pdos-FeO.pwtk2024-04-05 13:33 3.6K 
[ ]data-stack.pwtk2024-04-17 06:46 3.7K 
[ ]bg.pwtk2024-04-16 16:16 3.7K 
[ ]tpool.pwtk2024-04-20 12:57 3.9K 
[TXT]Cu_pwtk42E020Input20Data20Specs2F022DCu.html2024-04-22 11:50 4.0K 
[TXT]neb-refine_pwtk42E320Workflow20Examples2F36e2Dneb2Drefine.html2024-04-22 11:50 4.1K 
[ ]pdos-CaF2.pwtk2024-04-05 13:33 4.1K 
[TXT]environ_pwtk42E220Plugin20Examples2F212Denviron.html2024-04-22 11:50 4.2K 
[TXT]Si_pwtk42E020Input20Data20Specs2F012DSi.html2024-04-22 11:50 4.2K 
[ ]thread.pwtk2024-04-20 12:54 4.2K 
[TXT]calcmol_pwtk42E320Workflow20Examples2F322Dcalcmol.html2024-04-22 11:50 4.3K 
[TXT]flo-N2OPd_pwtk42E320Workflow20Examples2F36b2Dflo2DN2OPd.html2024-04-22 11:50 4.3K 
[TXT]sbco-N2OPd_pwtk42E320Workflow20Examples2F36c2Dsbco2DN2OPd.html2024-04-22 11:50 4.4K 
[TXT]CORh_pwtk42E020Input20Data20Specs2F042DCORh.html2024-04-22 11:50 4.4K 
[TXT]remedy_pwtk42E620Run20Modifiers20Examples2F612Dremedy.html2024-04-22 11:50 4.7K 
[TXT]pseudo_pwtk42E320Workflow20Examples2F372Dpseudo.html2024-04-22 11:50 4.8K 
[ ]remote.pwtk2024-04-16 19:17 4.8K 
[ ]convergence-tests-Cu.pwtk2024-04-05 13:18 4.9K 
[ ]pdos-CORh.pwtk2024-04-05 13:33 5.0K 
[TXT]tabulate_pwtk42E720Miscellaneous20Examples2F712Dtabulate.html2024-04-22 11:50 5.2K 
[TXT]artn_pwtk42E220Plugin20Examples2F222Dartn.html2024-04-22 11:50 5.4K 
[TXT]neb_vs_flo_vs_sbco_pwtk42E320Workflow20Examples2F36d2Dneb5Fvs5Fflo5Fvs5Fsbco.html2024-04-22 11:50 5.4K 
[TXT]treatrun_pwtk42E620Run20Modifiers20Examples2F632Dtreatrun.html2024-04-22 11:50 5.8K 
[TXT]slurm-simple_pwtk42E420Job20Scheduler20Examples2F412Dslurm2Dsimple.html2024-04-22 11:50 5.9K 
[ ]bonding-analysis-CORh.pwtk2024-04-05 13:42 6.2K 
[TXT]simple-Si_pwtk42E120Basic20Examples2F112Dsimple2DSi.html2024-04-22 11:50 6.7K 
[TXT]scan-Si_pwtk42E120Basic20Examples2F122Dscan2DSi.html2024-04-22 11:50 7.0K 
[TXT]xxxrun_pwtk42E620Run20Modifiers20Examples2F622Dxxxrun.html2024-04-22 11:50 7.3K 
[TXT]propagate_pwtk42E520Concurrent20and20Remote20Execution20Examples2F502Dpropagate.html2024-04-22 11:50 7.5K 
[TXT]plotting_pwtk42E720Miscellaneous20Examples2F722Dplotting.html2024-04-22 11:50 7.8K 
[TXT]N2OPd_pwtk42E020Input20Data20Specs2F032DN2OPd.html2024-04-22 11:50 8.0K 
[TXT]slurm-configurable_pwtk42E420Job20Scheduler20Examples2F422Dslurm2Dconfigurable.html2024-04-22 11:50 8.1K 
[TXT]difden-OAl_pwtk42E320Workflow20Examples2F332Ddifden2DOAl.html2024-04-22 11:50 8.2K 
[TXT]vib-mol-spectra_pwtk42E120Basic20Examples2F152Dvib2Dmol2Dspectra.html2024-04-22 11:50 8.2K 
[TXT]hp-composite_pwtk42E120Basic20Examples2F172Dhp2Dcomposite.html2024-04-22 11:50 8.4K 
[TXT]hp_pwtk42E120Basic20Examples2F162Dhp.html2024-04-22 11:50 9.7K 
[TXT]scanpar-Si_pwtk42E120Basic20Examples2F132Dscanpar2DSi.html2024-04-22 11:50 10K 
[TXT]pdos-FeO_pwtk42E320Workflow20Examples2F35c2Dpdos2DFeO.html2024-04-22 11:50 11K 
[TXT]data-stack_pwtk42E120Basic20Examples2F1X2Ddata2Dstack.html2024-04-22 11:50 12K 
[TXT]pdos-CaF2_pwtk42E320Workflow20Examples2F35a2Dpdos2DCaF2.html2024-04-22 11:50 12K 
[TXT]bg_pwtk42E520Concurrent20and20Remote20Execution20Examples2F512Dbg.html2024-04-22 11:50 14K 
[TXT]tpool_pwtk42E520Concurrent20and20Remote20Execution20Examples2F532Dtpool.html2024-04-22 11:50 14K 
[TXT]convergence-tests-Cu_pwtk42E120Basic20Examples2F142Dconvergence2Dtests2DCu.html2024-04-22 11:50 15K 
[TXT]thread_pwtk42E520Concurrent20and20Remote20Execution20Examples2F522Dthread.html2024-04-22 11:50 15K 
[TXT]pdos-CORh_pwtk42E320Workflow20Examples2F35b2Dpdos2DCORh.html2024-04-22 11:50 16K 
[TXT]remote_pwtk42E520Concurrent20and20Remote20Execution20Examples2F542Dremote.html2024-04-22 11:50 16K 
[TXT]bonding-analysis-CORh_pwtk42E320Workflow20Examples2F382Dbonding2Danalysis2DCORh.html2024-04-22 11:50 18K 
[ ]topview.xcrysden2024-04-17 14:46 26K 
[ ]ildos.xcrysden2024-04-05 12:09 30K 
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