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qmcpack/labs/lab2_qmc_basics/oxygen_atom/reference/ppconv.error

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Cobalt location args: --block VST-00400-11511-32
Atomic symbol = O
PseudoCharge = 6
lmax = 1
Finished reading GAMESS pseudopotential.
Solving atom for reference state 1s(2)2p(4):
Energy(0) = -1.3884455348481262
Energy(1) = -0.8393987835142116
Energy(0) = -1.0132619687798785
Energy(1) = -0.4804309407508470
Energy(0) = -0.8861636507342621
Energy(1) = -0.3574357329051114
Energy(0) = -0.8767868926770254
Energy(1) = -0.3480162870445436
Energy(0) = -0.8633857936715192
Energy(1) = -0.3351066277191179
Energy(0) = -0.8676640542721968
Energy(1) = -0.3391461496669513
Energy(0) = -0.8640043901644825
Energy(1) = -0.3356499328147433
Energy(0) = -0.8661367738185459
Energy(1) = -0.3376789744004042
Energy(0) = -0.8647301071273168
Energy(1) = -0.3363382122334371
Energy(0) = -0.8656184241365982
Energy(1) = -0.3371843358197532
Energy(0) = -0.8650488691396665
Energy(1) = -0.3366416805565413
Energy(0) = -0.8654120674724901
Energy(1) = -0.3369876834752378
Energy(0) = -0.8651800031183636
Energy(1) = -0.3367665805953684
Energy(0) = -0.8653281637045731
Energy(1) = -0.3369077441008003
Energy(0) = -0.8652335165886296
Energy(1) = -0.3368175722879991
Energy(0) = -0.8652939548976969
Energy(1) = -0.3368751522970700
Energy(0) = -0.8652553622808438
Energy(1) = -0.3368383858909661
Energy(0) = -0.8652800091187409
Energy(1) = -0.3368618668812741
Energy(0) = -0.8652642692735267
Energy(1) = -0.3368468717485552
Energy(0) = -0.8652743210529344
Energy(1) = -0.3368564480154494
Energy(0) = -0.8652679017755124
Energy(1) = -0.3368503324412650
Energy(0) = -0.8652720012474406
Energy(1) = -0.3368542379752048
Energy(0) = -0.8652693832395578
Energy(1) = -0.3368517438253018
Energy(0) = -0.8652710551501474
Energy(1) = -0.3368533366398845
Energy(0) = -0.8652699874340450
Energy(1) = -0.3368523194369566
Energy(0) = -0.8652706692985838
Energy(1) = -0.3368529690431358
Energy(0) = -0.8652702338461669
Energy(1) = -0.3368525541916985
Energy(0) = -0.8652705119347235
Energy(1) = -0.3368528191241187
Energy(0) = -0.8652703343418341
Energy(1) = -0.3368526499330250
Energy(0) = -0.8652704477561870
Energy(1) = -0.3368527579818345
Energy(0) = -0.8652703753275006
Energy(1) = -0.3368526889796949
Energy(0) = -0.8652704215819080
Energy(1) = -0.3368527330458426
Energy(0) = -0.8652703920429387
Energy(1) = -0.3368527049043399
Energy(0) = -0.8652704109071105
Energy(1) = -0.3368527228760628
Energy(0) = -0.8652703988600629
Energy(1) = -0.3368527113989524
Energy(0) = -0.8652703988600629
Energy(1) = -0.3368527113989524
Solving atom for reference state 1s(2)2p(4):
Energy(0) = -1.3884455348481262
Energy(1) = -0.8393987835142116
Energy(0) = -1.0132619687798785
Energy(1) = -0.4804309407508470
Energy(0) = -0.8861636507342621
Energy(1) = -0.3574357329051114
Energy(0) = -0.8767868926770254
Energy(1) = -0.3480162870445436
Energy(0) = -0.8633857936715192
Energy(1) = -0.3351066277191179
Energy(0) = -0.8676640542721968
Energy(1) = -0.3391461496669513
Energy(0) = -0.8640043901644825
Energy(1) = -0.3356499328147433
Energy(0) = -0.8661367738185459
Energy(1) = -0.3376789744004042
Energy(0) = -0.8647301071273168
Energy(1) = -0.3363382122334371
Energy(0) = -0.8656184241365982
Energy(1) = -0.3371843358197532
Energy(0) = -0.8650488691396665
Energy(1) = -0.3366416805565413
Energy(0) = -0.8654120674724901
Energy(1) = -0.3369876834752378
Energy(0) = -0.8651800031183636
Energy(1) = -0.3367665805953684
Energy(0) = -0.8653281637045731
Energy(1) = -0.3369077441008003
Energy(0) = -0.8652335165886296
Energy(1) = -0.3368175722879991
Energy(0) = -0.8652939548976969
Energy(1) = -0.3368751522970700
Energy(0) = -0.8652553622808438
Energy(1) = -0.3368383858909661
Energy(0) = -0.8652800091187409
Energy(1) = -0.3368618668812741
Energy(0) = -0.8652642692735267
Energy(1) = -0.3368468717485552
Energy(0) = -0.8652743210529344
Energy(1) = -0.3368564480154494
Energy(0) = -0.8652679017755124
Energy(1) = -0.3368503324412650
Energy(0) = -0.8652720012474406
Energy(1) = -0.3368542379752048
Energy(0) = -0.8652693832395578
Energy(1) = -0.3368517438253018
Energy(0) = -0.8652710551501474
Energy(1) = -0.3368533366398845
Energy(0) = -0.8652699874340450
Energy(1) = -0.3368523194369566
Energy(0) = -0.8652706692985838
Energy(1) = -0.3368529690431358
Energy(0) = -0.8652702338461669
Energy(1) = -0.3368525541916985
Energy(0) = -0.8652705119347235
Energy(1) = -0.3368528191241187
Energy(0) = -0.8652703343418341
Energy(1) = -0.3368526499330250
Energy(0) = -0.8652704477561870
Energy(1) = -0.3368527579818345
Energy(0) = -0.8652703753275006
Energy(1) = -0.3368526889796949
Energy(0) = -0.8652704215819080
Energy(1) = -0.3368527330458426
Energy(0) = -0.8652703920429387
Energy(1) = -0.3368527049043399
Energy(0) = -0.8652704109071105
Energy(1) = -0.3368527228760628
Energy(0) = -0.8652703988600629
Energy(1) = -0.3368527113989524
Energy(0) = -0.8652703988600629
Energy(1) = -0.3368527113989524
Cobalt location args: --block VST-00400-11511-32
Atomic symbol = O
PseudoCharge = 6
lmax = 1
Finished reading GAMESS pseudopotential.
Solving atom for reference state 1s(2)2p(4):
Energy(0) = -1.3884455354126488
Energy(1) = -0.8393987832012321
Energy(0) = -1.0132619693255507
Energy(1) = -0.4804309403156691
Energy(0) = -0.8861636514366278
Energy(1) = -0.3574357326263676
Energy(0) = -0.8767868933253703
Energy(1) = -0.3480162867010071
Energy(0) = -0.8633857943655601
Energy(1) = -0.3351066274254474
Energy(0) = -0.8676640549397239
Energy(1) = -0.3391461493436342
Energy(0) = -0.8640043908499709
Energy(1) = -0.3356499325112670
Energy(0) = -0.8661367744926730
Energy(1) = -0.3376789740843534
Energy(0) = -0.8647301078088685
Energy(1) = -0.3363382119255774
Energy(0) = -0.8656184248133566
Energy(1) = -0.3371843355066119
Energy(0) = -0.8650488698195365
Energy(1) = -0.3366416802468216
Energy(0) = -0.8654120681503520
Energy(1) = -0.3369876831633120
Energy(0) = -0.8651799896325457
Energy(1) = -0.3367665802848415
Energy(0) = -0.8653281628154622
Energy(1) = -0.3369077422880499
Energy(0) = -0.8652335187906971
Energy(1) = -0.3368175734269656
Energy(0) = -0.8652939547135226
Energy(1) = -0.3368751511637845
Energy(0) = -0.8652553635337595
Energy(1) = -0.3368383861269946
Energy(0) = -0.8652800094355613
Energy(1) = -0.3368618662254999
Energy(0) = -0.8652642701842886
Energy(1) = -0.3368468716586346
Energy(0) = -0.8652743215835595
Energy(1) = -0.3368564475633666
Energy(0) = -0.8652679025487350
Energy(1) = -0.3368503322203092
Energy(0) = -0.8652720018656798
Energy(1) = -0.3368542376065880
Energy(0) = -0.8652693839567567
Energy(1) = -0.3368517435509673
Energy(0) = -0.8652710558041459
Energy(1) = -0.3368533363053389
Energy(0) = -0.8652699881283988
Energy(1) = -0.3368523191408588
Energy(0) = -0.8652706699672045
Energy(1) = -0.3368529687225222
Energy(0) = -0.8652702345312369
Energy(1) = -0.3368525538867579
Energy(0) = -0.8652705126092902
Energy(1) = -0.3368528188091702
Energy(0) = -0.8652703350230724
Energy(1) = -0.3368526496244319
Energy(0) = -0.8652704484331553
Energy(1) = -0.3368527576691723
Energy(0) = -0.8652703760071973
Energy(1) = -0.3368526886696333
Energy(0) = -0.8652704222598775
Energy(1) = -0.3368527327341349
Energy(0) = -0.8652703927220184
Energy(1) = -0.3368527045936890
Energy(0) = -0.8652704115854761
Energy(1) = -0.3368527225647309
Energy(0) = -0.8652703995388716
Energy(1) = -0.3368527110880425
Energy(0) = -0.8652703995388716
Energy(1) = -0.3368527110880425
Solving atom for reference state 1s(2)2p(4):
Energy(0) = -1.3884455354126488
Energy(1) = -0.8393987832012321
Energy(0) = -1.0132619693255507
Energy(1) = -0.4804309403156691
Energy(0) = -0.8861636514366278
Energy(1) = -0.3574357326263676
Energy(0) = -0.8767868933253703
Energy(1) = -0.3480162867010071
Energy(0) = -0.8633857943655601
Energy(1) = -0.3351066274254474
Energy(0) = -0.8676640549397239
Energy(1) = -0.3391461493436342
Energy(0) = -0.8640043908499709
Energy(1) = -0.3356499325112670
Energy(0) = -0.8661367744926730
Energy(1) = -0.3376789740843534
Energy(0) = -0.8647301078088685
Energy(1) = -0.3363382119255774
Energy(0) = -0.8656184248133566
Energy(1) = -0.3371843355066119
Energy(0) = -0.8650488698195365
Energy(1) = -0.3366416802468216
Energy(0) = -0.8654120681503520
Energy(1) = -0.3369876831633120
Energy(0) = -0.8651799896325457
Energy(1) = -0.3367665802848415
Energy(0) = -0.8653281628154622
Energy(1) = -0.3369077422880499
Energy(0) = -0.8652335187906971
Energy(1) = -0.3368175734269656
Energy(0) = -0.8652939547135226
Energy(1) = -0.3368751511637845
Energy(0) = -0.8652553635337595
Energy(1) = -0.3368383861269946
Energy(0) = -0.8652800094355613
Energy(1) = -0.3368618662254999
Energy(0) = -0.8652642701842886
Energy(1) = -0.3368468716586346
Energy(0) = -0.8652743215835595
Energy(1) = -0.3368564475633666
Energy(0) = -0.8652679025487350
Energy(1) = -0.3368503322203092
Energy(0) = -0.8652720018656798
Energy(1) = -0.3368542376065880
Energy(0) = -0.8652693839567567
Energy(1) = -0.3368517435509673
Energy(0) = -0.8652710558041459
Energy(1) = -0.3368533363053389
Energy(0) = -0.8652699881283988
Energy(1) = -0.3368523191408588
Energy(0) = -0.8652706699672045
Energy(1) = -0.3368529687225222
Energy(0) = -0.8652702345312369
Energy(1) = -0.3368525538867579
Energy(0) = -0.8652705126092902
Energy(1) = -0.3368528188091702
Energy(0) = -0.8652703350230724
Energy(1) = -0.3368526496244319
Energy(0) = -0.8652704484331553
Energy(1) = -0.3368527576691723
Energy(0) = -0.8652703760071973
Energy(1) = -0.3368526886696333
Energy(0) = -0.8652704222598775
Energy(1) = -0.3368527327341349
Energy(0) = -0.8652703927220184
Energy(1) = -0.3368527045936890
Energy(0) = -0.8652704115854761
Energy(1) = -0.3368527225647309
Energy(0) = -0.8652703995388716
Energy(1) = -0.3368527110880425
Energy(0) = -0.8652703995388716
Energy(1) = -0.3368527110880425
LocalChannel = 1
l = 0, betaNum = 1, norm = 1.0000000001e+00 Dij = 4.7265387984e-01
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