mirror of https://github.com/abinit/abinit.git
156 lines
3.7 KiB
Plaintext
156 lines
3.7 KiB
Plaintext
Total correction of the ZPM (eV) for 1 Q points
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Spin Up
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Kpt: [ 0. 0. 0.]
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2.52702932913 0.500312341043 -0.0238106797436 0.481194945459 0.481194945459 0.297715994823
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0.297715994823 -0.000749503402367 -0.591989129759 0.000184002069086
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Spin down
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Kpt: [ 0. 0. 0.]
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2.66666471694 0.501806679218 -0.0202076102423 0.483709185596 0.483709185596 -0.286539204984
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-0.286539204984 -0.00148770671739 -0.00123935992028 0.00216897511304
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Temperature dependence at Gamma
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Spin Up
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Band: 0
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0.0 2.52702932913
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200.0 2.52702409025
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400.0 2.52629034039
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Band: 1
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0.0 0.500312341043
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200.0 0.500312441066
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400.0 0.500327674236
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Band: 2
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0.0 -0.0238106797436
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200.0 -0.0238134522077
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400.0 -0.0242016830782
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Band: 3
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0.0 0.481194945459
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200.0 0.481192811627
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400.0 0.480893635573
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Band: 4
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0.0 0.481194945459
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200.0 0.481192811627
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400.0 0.480893635573
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Band: 5
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0.0 0.297715994823
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200.0 0.297716519591
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400.0 0.297789852448
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Band: 6
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0.0 0.297715994823
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200.0 0.297716519591
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400.0 0.297789852448
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Band: 7
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0.0 -0.000749503402367
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200.0 -0.000749496140171
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400.0 -0.000748728107693
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Band: 8
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0.0 -0.591989129759
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200.0 -0.591990151733
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400.0 -0.592132949546
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Band: 9
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0.0 0.000184002069086
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200.0 0.000184084004421
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400.0 0.000195264261944
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Spin downBand: 0
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0.0 2.66666471694
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200.0 2.6666594117
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400.0 2.66591633154
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Band: 1
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0.0 0.501806679218
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200.0 0.501806670831
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400.0 0.501806681305
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Band: 2
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0.0 -0.0202076102423
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200.0 -0.0202102708339
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400.0 -0.0205831287399
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Band: 3
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0.0 0.483709185596
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200.0 0.483707034037
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400.0 0.483404874694
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Band: 4
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0.0 0.483709185596
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200.0 0.483707034037
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400.0 0.483404874694
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Band: 5
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0.0 -0.286539204984
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200.0 -0.28653877084
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400.0 -0.286478445898
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Band: 6
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0.0 -0.286539204984
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200.0 -0.28653877084
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400.0 -0.286478445898
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Band: 7
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0.0 -0.00148770671739
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200.0 -0.00148770183282
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400.0 -0.00148728918183
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Band: 8
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0.0 -0.00123935992028
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200.0 -0.00123937947304
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400.0 -0.00124232793942
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Band: 9
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0.0 0.00216897511304
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200.0 0.00216924793357
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400.0 0.00220740867825
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Fan/DDW contribution at Gamma:
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Spin Up
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Band: 0 FAN: 2.41327953245
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DDW: 0.11374979668
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TOTAL: 2.52702932913
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Band: 1 FAN: 0.404860346234
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DDW: 0.0954519948092
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TOTAL: 0.500312341043
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Band: 2 FAN: -0.337252421765
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DDW: 0.313441742021
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TOTAL: -0.0238106797436
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Band: 3 FAN: 0.147539856835
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DDW: 0.333655088624
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TOTAL: 0.481194945459
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Band: 4 FAN: 0.147539856835
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DDW: 0.333655088624
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TOTAL: 0.481194945459
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Band: 5 FAN: -0.116366395392
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DDW: 0.414082390215
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TOTAL: 0.297715994823
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Band: 6 FAN: -0.116366395392
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DDW: 0.414082390215
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TOTAL: 0.297715994823
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Band: 7 FAN: -0.00891128636568
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DDW: 0.00816178296332
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TOTAL: -0.000749503402367
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Band: 8 FAN: -0.580518562757
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DDW: -0.0114705670018
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TOTAL: -0.591989129759
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Band: 9 FAN: 0.0040999589903
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DDW: -0.00391595692122
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TOTAL: 0.000184002069086
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Spin down
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Band: 0 FAN: 2.55180497268
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DDW: 0.114859744266
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TOTAL: 2.66666471694
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Band: 1 FAN: 0.408257386441
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DDW: 0.093549292777
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TOTAL: 0.501806679218
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Band: 2 FAN: -0.328630401836
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DDW: 0.308422791594
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TOTAL: -0.0202076102423
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Band: 3 FAN: 0.174343453294
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DDW: 0.309365732302
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TOTAL: 0.483709185596
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Band: 4 FAN: 0.174343453294
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DDW: 0.309365732302
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TOTAL: 0.483709185596
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Band: 5 FAN: -0.672379247073
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DDW: 0.385840042089
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TOTAL: -0.286539204984
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Band: 6 FAN: -0.672379247073
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DDW: 0.385840042089
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TOTAL: -0.286539204984
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Band: 7 FAN: -0.0107266071929
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DDW: 0.0092389004755
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TOTAL: -0.00148770671739
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Band: 8 FAN: 0.0029276669629
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DDW: -0.00416702688318
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TOTAL: -0.00123935992028
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Band: 9 FAN: 0.00440396633264
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DDW: -0.00223499121961
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TOTAL: 0.00216897511304
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Runtime: 0 seconds (or 0.0 minutes)
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