Gross-Pitaevskii equation with magnetism

We solve the 2D Gross-Pitaevskii equation with a magnetic field. This is similar to the previous example (Gross-Pitaevskii equation in one dimension), but with an extra term for the magnetic field. We reproduce here the results of https://arxiv.org/pdf/1611.02045.pdf Fig. 10

In [1]:
using DFTK
using StaticArrays
using Plots

Unit cell. Having one of the lattice vectors as zero means a 2D system

In [2]:
a = 15
lattice = a .* [[1 0 0.]; [0 1 0]; [0 0 0]];

Confining scalar potential, and magnetic vector potential

In [3]:
pot(x, y, z) = ((x - a/2)^2 + (y - a/2)^2)/2
ω = .6
Apot(x, y, z) = ω * @SVector [y - a/2, -(x - a/2), 0]
Apot(X) = Apot(X...);

Parameters

In [4]:
Ecut = 20  # Increase this for production
η = 500
C = η/2
α = 2
n_electrons = 1;  # Increase this for fun

Collect all the terms, build and run the model

In [5]:
terms = [Kinetic(),
         ExternalFromReal(X -> pot(X...)),
         PowerNonlinearity(C, α),
         Magnetic(Apot),
]
model = Model(lattice; n_electrons=n_electrons,
              terms=terms, spin_polarization=:spinless)  # "spinless electrons"
basis = PlaneWaveBasis(model, Ecut, kgrid=(1, 1, 1))
scfres = direct_minimization(basis, tol=1e-5)  # Reduce tol for production
heatmap(scfres.ρ[:, :, 1, 1], c=:blues)
Iter     Function value   Gradient norm 
     0     3.067763e+01     8.144237e+00
 * time: 0.001901865005493164
     1     2.287284e+01     4.031038e+00
 * time: 0.00860285758972168
     2     1.603796e+01     3.810949e+00
 * time: 0.014346837997436523
     3     1.176708e+01     2.048021e+00
 * time: 0.018249988555908203
     4     9.845149e+00     1.509777e+00
 * time: 0.02226400375366211
     5     9.298430e+00     1.586762e+00
 * time: 0.025421857833862305
     6     8.951632e+00     7.527145e-01
 * time: 0.028947830200195312
     7     8.728261e+00     6.490648e-01
 * time: 0.03245878219604492
     8     8.523520e+00     7.172486e-01
 * time: 0.03638887405395508
     9     8.325071e+00     4.616136e-01
 * time: 0.040390968322753906
    10     8.223614e+00     4.459931e-01
 * time: 0.044174909591674805
    11     8.140842e+00     3.460492e-01
 * time: 0.08905196189880371
    12     8.117604e+00     6.704982e-01
 * time: 0.09198999404907227
    13     8.078690e+00     6.168289e-01
 * time: 0.09460997581481934
    14     8.048015e+00     5.007913e-01
 * time: 0.09722781181335449
    15     8.025201e+00     6.291057e-01
 * time: 0.09972977638244629
    16     7.964722e+00     4.012559e-01
 * time: 0.102935791015625
    17     7.946485e+00     7.036019e-01
 * time: 0.10555100440979004
    18     7.896823e+00     5.000649e-01
 * time: 0.10815691947937012
    19     7.857545e+00     5.312369e-01
 * time: 0.11090993881225586
    20     7.819183e+00     3.722608e-01
 * time: 0.11350893974304199
    21     7.815436e+00     5.901599e-01
 * time: 0.11594080924987793
    22     7.784831e+00     4.471065e-01
 * time: 0.1190798282623291
    23     7.753742e+00     3.391313e-01
 * time: 0.12236499786376953
    24     7.729238e+00     3.185656e-01
 * time: 0.12483787536621094
    25     7.723656e+00     5.285786e-01
 * time: 0.12730884552001953
    26     7.706413e+00     2.849959e-01
 * time: 0.13060688972473145
    27     7.696576e+00     3.588888e-01
 * time: 0.13454699516296387
    28     7.695533e+00     3.656795e-01
 * time: 0.13738584518432617
    29     7.687370e+00     2.819450e-01
 * time: 0.14051485061645508
    30     7.678839e+00     2.867153e-01
 * time: 0.14397597312927246
    31     7.673153e+00     2.894578e-01
 * time: 0.14703679084777832
    32     7.671417e+00     2.561779e-01
 * time: 0.1507108211517334
    33     7.663997e+00     1.967374e-01
 * time: 0.15460777282714844
    34     7.659219e+00     2.753159e-01
 * time: 0.15850281715393066
    35     7.657626e+00     2.810287e-01
 * time: 0.1622908115386963
    36     7.649913e+00     2.093605e-01
 * time: 0.16711091995239258
    37     7.646358e+00     1.872233e-01
 * time: 0.17059087753295898
    38     7.644971e+00     2.535843e-01
 * time: 0.17325186729431152
    39     7.639046e+00     1.356052e-01
 * time: 0.17644691467285156
    40     7.637764e+00     1.694389e-01
 * time: 0.17927289009094238
    41     7.636912e+00     1.713900e-01
 * time: 0.1828138828277588
    42     7.634924e+00     1.362879e-01
 * time: 0.18677878379821777
    43     7.632691e+00     6.653321e-02
 * time: 0.19138288497924805
    44     7.631874e+00     1.324745e-01
 * time: 0.19516587257385254
    45     7.631862e+00     1.321908e-01
 * time: 0.19875097274780273
    46     7.630641e+00     7.483434e-02
 * time: 0.20266985893249512
    47     7.629195e+00     6.948935e-02
 * time: 0.2300269603729248
    48     7.628776e+00     1.298703e-01
 * time: 0.23297977447509766
    49     7.627560e+00     8.030285e-02
 * time: 0.23631691932678223
    50     7.627159e+00     7.912940e-02
 * time: 0.23898983001708984
    51     7.627149e+00     8.516281e-02
 * time: 0.24165797233581543
    52     7.626326e+00     5.652772e-02
 * time: 0.2449169158935547
    53     7.625784e+00     7.533065e-02
 * time: 0.24759793281555176
    54     7.625593e+00     7.264850e-02
 * time: 0.25032496452331543
    55     7.625061e+00     9.728055e-02
 * time: 0.25295495986938477
    56     7.624381e+00     5.604104e-02
 * time: 0.25612688064575195
    57     7.624179e+00     6.381166e-02
 * time: 0.2585029602050781
    58     7.623875e+00     6.513670e-02
 * time: 0.2608809471130371
    59     7.623455e+00     5.759971e-02
 * time: 0.26357388496398926
    60     7.623016e+00     5.202802e-02
 * time: 0.2660038471221924
    61     7.622655e+00     5.194102e-02
 * time: 0.2690269947052002
    62     7.622159e+00     2.598533e-02
 * time: 0.27213382720947266
    63     7.621800e+00     3.634237e-02
 * time: 0.2746858596801758
    64     7.621432e+00     3.576771e-02
 * time: 0.277756929397583
    65     7.621412e+00     7.768333e-02
 * time: 0.28020691871643066
    66     7.621029e+00     5.179030e-02
 * time: 0.2833437919616699
    67     7.620756e+00     4.827403e-02
 * time: 0.28603386878967285
    68     7.620316e+00     5.649359e-02
 * time: 0.2888457775115967
    69     7.620153e+00     6.224495e-02
 * time: 0.2922549247741699
    70     7.619887e+00     5.549768e-02
 * time: 0.2952549457550049
    71     7.619399e+00     4.022220e-02
 * time: 0.297717809677124
    72     7.618829e+00     3.201794e-02
 * time: 0.3001408576965332
    73     7.618355e+00     3.894010e-02
 * time: 0.30257081985473633
    74     7.618283e+00     7.700909e-02
 * time: 0.3054847717285156
    75     7.617987e+00     5.298024e-02
 * time: 0.3080928325653076
    76     7.617617e+00     3.367163e-02
 * time: 0.31144094467163086
    77     7.617232e+00     3.865301e-02
 * time: 0.31439900398254395
    78     7.616895e+00     4.133729e-02
 * time: 0.3172109127044678
    79     7.616612e+00     4.986174e-02
 * time: 0.3195679187774658
    80     7.616185e+00     3.454561e-02
 * time: 0.3226017951965332
    81     7.615866e+00     3.516066e-02
 * time: 0.3259298801422119
    82     7.615545e+00     4.958953e-02
 * time: 0.32828187942504883
    83     7.615268e+00     4.656365e-02
 * time: 0.34993886947631836
    84     7.614801e+00     4.113635e-02
 * time: 0.3532547950744629
    85     7.614400e+00     3.849660e-02
 * time: 0.3565859794616699
    86     7.614014e+00     3.704992e-02
 * time: 0.35906481742858887
    87     7.613803e+00     2.896344e-02
 * time: 0.36218690872192383
    88     7.613575e+00     4.191638e-02
 * time: 0.3645648956298828
    89     7.613491e+00     4.177907e-02
 * time: 0.3671407699584961
    90     7.613347e+00     3.362270e-02
 * time: 0.36943697929382324
    91     7.613033e+00     4.187288e-02
 * time: 0.37195396423339844
    92     7.612599e+00     2.552502e-02
 * time: 0.3743247985839844
    93     7.612522e+00     4.448100e-02
 * time: 0.3768479824066162
    94     7.612387e+00     5.459840e-02
 * time: 0.37909388542175293
    95     7.612135e+00     3.287490e-02
 * time: 0.3814258575439453
    96     7.612087e+00     5.973921e-02
 * time: 0.3838319778442383
    97     7.611761e+00     4.355610e-02
 * time: 0.3863668441772461
    98     7.611580e+00     5.974710e-02
 * time: 0.3890349864959717
    99     7.611465e+00     6.540600e-02
 * time: 0.3918299674987793
   100     7.611429e+00     6.440547e-02
 * time: 0.3944997787475586
   101     7.611285e+00     4.426346e-02
 * time: 0.3970217704772949
   102     7.610642e+00     4.521453e-02
 * time: 0.3992428779602051
   103     7.610025e+00     4.111165e-02
 * time: 0.40167880058288574
   104     7.609973e+00     7.365035e-02
 * time: 0.4042818546295166
   105     7.609553e+00     6.901144e-02
 * time: 0.407545804977417
   106     7.609164e+00     6.285885e-02
 * time: 0.41046977043151855
   107     7.608498e+00     4.422418e-02
 * time: 0.41350889205932617
   108     7.608269e+00     5.037694e-02
 * time: 0.41600489616394043
   109     7.607915e+00     4.155158e-02
 * time: 0.4183638095855713
   110     7.607426e+00     3.903233e-02
 * time: 0.4213228225708008
   111     7.606866e+00     4.575831e-02
 * time: 0.4241619110107422
   112     7.606402e+00     2.962163e-02
 * time: 0.42737793922424316
   113     7.606116e+00     4.680080e-02
 * time: 0.4299488067626953
   114     7.605850e+00     3.527297e-02
 * time: 0.4324378967285156
   115     7.605515e+00     3.454307e-02
 * time: 0.43575286865234375
   116     7.605474e+00     5.755433e-02
 * time: 0.438248872756958
   117     7.605230e+00     4.833934e-02
 * time: 0.44130778312683105
   118     7.604845e+00     3.795360e-02
 * time: 0.44377899169921875
   119     7.604423e+00     4.214736e-02
 * time: 0.45621585845947266
   120     7.604027e+00     2.221301e-02
 * time: 0.4593048095703125
   121     7.603896e+00     3.160028e-02
 * time: 0.462418794631958
   122     7.603777e+00     2.915129e-02
 * time: 0.4657328128814697
   123     7.603640e+00     2.559170e-02
 * time: 0.4681859016418457
   124     7.603364e+00     2.669765e-02
 * time: 0.47061991691589355
   125     7.603295e+00     4.728357e-02
 * time: 0.47290992736816406
   126     7.603024e+00     3.880838e-02
 * time: 0.4752328395843506
   127     7.602842e+00     4.172378e-02
 * time: 0.47774291038513184
   128     7.602566e+00     2.890858e-02
 * time: 0.4801309108734131
   129     7.602439e+00     3.134936e-02
 * time: 0.4829139709472656
   130     7.602352e+00     4.204783e-02
 * time: 0.4854309558868408
   131     7.602172e+00     2.292169e-02
 * time: 0.4887399673461914
   132     7.601990e+00     2.910049e-02
 * time: 0.4917449951171875
   133     7.601850e+00     2.607451e-02
 * time: 0.49470090866088867
   134     7.601698e+00     1.742428e-02
 * time: 0.4979228973388672
   135     7.601577e+00     1.695471e-02
 * time: 0.50034499168396
   136     7.601425e+00     2.045234e-02
 * time: 0.5033168792724609
   137     7.601328e+00     2.611383e-02
 * time: 0.5056037902832031
   138     7.601285e+00     2.968405e-02
 * time: 0.508098840713501
   139     7.601124e+00     2.467935e-02
 * time: 0.510443925857544
   140     7.601012e+00     3.938963e-02
 * time: 0.5130748748779297
   141     7.600776e+00     3.027014e-02
 * time: 0.5163068771362305
   142     7.600601e+00     2.897843e-02
 * time: 0.5188829898834229
   143     7.600397e+00     3.137727e-02
 * time: 0.5213987827301025
   144     7.600136e+00     3.038042e-02
 * time: 0.5239458084106445
   145     7.599967e+00     3.371919e-02
 * time: 0.5263597965240479
   146     7.599791e+00     2.702583e-02
 * time: 0.5296289920806885
   147     7.599635e+00     4.410893e-02
 * time: 0.5320949554443359
   148     7.599393e+00     4.075306e-02
 * time: 0.5344879627227783
   149     7.599187e+00     2.784275e-02
 * time: 0.5376598834991455
   150     7.598965e+00     4.152346e-02
 * time: 0.5399749279022217
   151     7.598713e+00     2.567408e-02
 * time: 0.543043851852417
   152     7.598576e+00     3.212217e-02
 * time: 0.54634690284729
   153     7.598365e+00     3.044514e-02
 * time: 0.5490419864654541
   154     7.598183e+00     3.555632e-02
 * time: 0.5607059001922607
   155     7.598126e+00     4.400682e-02
 * time: 0.5631988048553467
   156     7.598011e+00     3.943702e-02
 * time: 0.5655598640441895
   157     7.597839e+00     3.540376e-02
 * time: 0.5687530040740967
   158     7.597809e+00     4.601814e-02
 * time: 0.571185827255249
   159     7.597690e+00     5.088074e-02
 * time: 0.5735127925872803
   160     7.597633e+00     4.164509e-02
 * time: 0.5761728286743164
   161     7.597455e+00     3.571227e-02
 * time: 0.578794002532959
   162     7.597127e+00     4.702159e-02
 * time: 0.5814568996429443
   163     7.596931e+00     3.487333e-02
 * time: 0.5845398902893066
   164     7.596748e+00     2.446034e-02
 * time: 0.5876338481903076
   165     7.596640e+00     2.543524e-02
 * time: 0.5910069942474365
   166     7.596492e+00     2.621509e-02
 * time: 0.5940818786621094
   167     7.596381e+00     1.696287e-02
 * time: 0.5972537994384766
   168     7.596361e+00     2.498926e-02
 * time: 0.5998148918151855
   169     7.596295e+00     2.635063e-02
 * time: 0.6021938323974609
   170     7.596173e+00     3.476277e-02
 * time: 0.6046187877655029
   171     7.596069e+00     2.036438e-02
 * time: 0.6072909832000732
   172     7.595988e+00     2.223213e-02
 * time: 0.6099109649658203
   173     7.595917e+00     2.234743e-02
 * time: 0.6124968528747559
   174     7.595870e+00     2.140020e-02
 * time: 0.6149289608001709
   175     7.595782e+00     1.839593e-02
 * time: 0.617332935333252
   176     7.595744e+00     2.692023e-02
 * time: 0.6199169158935547
   177     7.595642e+00     1.907693e-02
 * time: 0.6225857734680176
   178     7.595620e+00     2.718274e-02
 * time: 0.625046968460083
   179     7.595538e+00     2.102899e-02
 * time: 0.628032922744751
   180     7.595499e+00     2.451351e-02
 * time: 0.6304810047149658
   181     7.595436e+00     1.456763e-02
 * time: 0.6335108280181885
   182     7.595404e+00     1.809301e-02
 * time: 0.6359138488769531
   183     7.595365e+00     1.957576e-02
 * time: 0.6386229991912842
   184     7.595355e+00     2.311020e-02
 * time: 0.6412348747253418
   185     7.595311e+00     1.582853e-02
 * time: 0.6439089775085449
   186     7.595279e+00     2.242754e-02
 * time: 0.646324872970581
   187     7.595245e+00     2.687960e-02
 * time: 0.6486937999725342
   188     7.595183e+00     2.977368e-02
 * time: 0.651216983795166
   189     7.595122e+00     1.152638e-02
 * time: 0.65447998046875
   190     7.595051e+00     1.536301e-02
 * time: 0.6568648815155029
   191     7.595041e+00     2.949297e-02
 * time: 0.6706159114837646
   192     7.595012e+00     2.119658e-02
 * time: 0.6731629371643066
   193     7.594958e+00     1.859068e-02
 * time: 0.6763548851013184
   194     7.594919e+00     2.468166e-02
 * time: 0.6788008213043213
   195     7.594913e+00     2.772726e-02
 * time: 0.6813747882843018
   196     7.594889e+00     2.146895e-02
 * time: 0.6839478015899658
   197     7.594863e+00     2.730361e-02
 * time: 0.6865818500518799
   198     7.594765e+00     1.701501e-02
 * time: 0.6899259090423584
   199     7.594754e+00     2.343203e-02
 * time: 0.6924128532409668
   200     7.594737e+00     3.746665e-02
 * time: 0.6950387954711914
   201     7.594644e+00     2.529188e-02
 * time: 0.6974599361419678
   202     7.594544e+00     1.955139e-02
 * time: 0.7008159160614014
   203     7.594526e+00     1.874374e-02
 * time: 0.7034108638763428
   204     7.594488e+00     1.694141e-02
 * time: 0.7058849334716797
   205     7.594449e+00     2.442378e-02
 * time: 0.7083139419555664
   206     7.594391e+00     1.454128e-02
 * time: 0.711662769317627
   207     7.594372e+00     1.895088e-02
 * time: 0.7140798568725586
   208     7.594332e+00     1.555393e-02
 * time: 0.7171669006347656
   209     7.594293e+00     1.901975e-02
 * time: 0.7196347713470459
   210     7.594238e+00     1.131925e-02
 * time: 0.7228307723999023
   211     7.594235e+00     3.536011e-02
 * time: 0.7251858711242676
   212     7.594188e+00     2.253183e-02
 * time: 0.7281348705291748
   213     7.594130e+00     1.987868e-02
 * time: 0.7307047843933105
   214     7.594082e+00     2.665462e-02
 * time: 0.7333259582519531
   215     7.594076e+00     2.656760e-02
 * time: 0.7359127998352051
   216     7.594027e+00     1.936305e-02
 * time: 0.7383430004119873
   217     7.594005e+00     2.480574e-02
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Out[5]: