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Deploy docs to v1.3.0 by GitHub Actions triggered by d73d06b
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mVMC Developers committed Oct 11, 2024
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17 changes: 17 additions & 0 deletions doc/v1.3.0/en/_downloads/2230fa7451cede3854a6deef75032ce9/stan.in
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model = "Hubbard"
lattice = "wannier90"
a0w = 8
a0l = 0
a0h = 8
a1w = 0
a1l = 1
a1h = 0
a2w = 1
a2l = 0
a2h = 0
method = "TPQ"
nelec = 8
exct = 1
cutoff_t = 0.5
cutoff_u = 1.0
cutoff_j = 0.02
16 changes: 16 additions & 0 deletions doc/v1.3.0/en/_downloads/39b79291a25a68995da77549bd533beb/stan.in
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model = "Hubbard"
lattice = "wannier90"
a0w = 2
a0l = 0
a0h = 2
a1w = 0
a1l = 2
a1h = 2
a2w = 1
a2l = 0
a2h = 0
2Sz = 0
nelec = 4
cutoff_t = 0.1
cutoff_u = 1.0
cutoff_j = 0.1
4 changes: 4 additions & 0 deletions doc/v1.3.0/en/_downloads/b1ec3039cdf0202e36301d36c1f37b1a/bands.in
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&BANDS
prefix = 'sr2cuo3'
lsym = .false.
/
44 changes: 44 additions & 0 deletions doc/v1.3.0/en/_downloads/b37127883768c5403e364998cb94cc7f/respack.in
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&PARAM_CHIQW
Num_freq_grid = 1
!Ecut_for_eps =
flg_cRPA = 1
/
&PARAM_WANNIER
N_wannier = 1
Lower_energy_window = 8
Upper_energy_window = 13
N_initial_guess = 1
/
dx2 0.2 0.500000 0.000000 0.50000 0.0 0.0 1.0 0.0 1.0 0.0 1.0 0.0 0.0
&PARAM_INTERPOLATION
N_sym_points = 10
!dense = 20, 24, 28
/
0.50000 0.50000 -0.50000
0.49526 0.50474 -0.04267
0.72630 0.27370 -0.27370
0.50000 0.50000 -0.50000
0.00000 0.00000 0.00000
0.00000 0.00000 0.50000
0.04267 -0.04267 0.50474
0.27370 -0.27370 0.27370
0.00000 0.00000 0.00000
0.50000 0.00000 0.00000
&PARAM_VISUALIZATION
flg_vis_wannier = 1,
ix_vis_min = -1,
ix_vis_max = 2,
iy_vis_min = -1,
iy_vis_max = 1,
iz_vis_min = -1,
iz_vis_max = 2
/
&PARAM_CALC_INT
calc_ifreq = 1
ix_intJ_min = -1
ix_intJ_max = 1
iy_intJ_min = -1
iy_intJ_max = 1
iz_intJ_min = -1
iz_intJ_max = 1
/
34 changes: 34 additions & 0 deletions doc/v1.3.0/en/_downloads/b593b96ec06a24a051e56aa0df84bd84/nscf.in
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&CONTROL
calculation = 'nscf'
pseudo_dir = '../pseudo'
wf_collect = .true.
prefix = 'sr2cuo3'
/
&SYSTEM
ibrav = 0
nat = 6
ntyp = 3
ecutwfc = 30.000000
ecutrho = 240.000000
occupations = 'tetrahedra_opt'
nbnd = 35
/
&ELECTRONS
/
CELL_PARAMETERS angstrom
-1.749305 1.955690 6.351200
1.749305 -1.955690 6.351200
1.749305 1.955690 -6.351200
ATOMIC_SPECIES
Sr 87.620000 Sr_ONCV_PBE-1.0.upf
Cu 63.546000 Cu_ONCV_PBE-1.0.upf
O 15.999400 O_ONCV_PBE-1.0.upf
ATOMIC_POSITIONS crystal
Sr 0.851940 0.351940 0.500000
Sr 0.148060 0.648060 0.500000
Cu 0.500000 0.000000 0.500000
O 0.654110 0.154110 0.500000
O 0.345890 0.845890 0.500000
O 0.000000 0.000000 0.000000
K_POINTS automatic
4 4 4 0 0 0
82 changes: 82 additions & 0 deletions doc/v1.3.0/en/_downloads/da167c3c214ea2b40788f448a3605d0b/band.in
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&CONTROL
calculation = 'bands'
pseudo_dir = '../pseudo'
prefix = 'sr2cuo3'
/
&SYSTEM
ibrav = 0
nat = 6
ntyp = 3
ecutwfc = 30.000000
ecutrho = 240.000000
nbnd = 35
/
&ELECTRONS
/
CELL_PARAMETERS angstrom
-1.749305 1.955690 6.351200
1.749305 -1.955690 6.351200
1.749305 1.955690 -6.351200
ATOMIC_SPECIES
Sr 87.620000 Sr_ONCV_PBE-1.0.upf
Cu 63.546000 Cu_ONCV_PBE-1.0.upf
O 15.999400 O_ONCV_PBE-1.0.upf
ATOMIC_POSITIONS crystal
Sr 0.851940 0.351940 0.500000
Sr 0.148060 0.648060 0.500000
Cu 0.500000 0.000000 0.500000
O 0.654110 0.154110 0.500000
O 0.345890 0.845890 0.500000
O 0.000000 0.000000 0.000000
K_POINTS crystal
50
0.5000000000 0.5000000000 -0.5000000000 1.0
0.4994075000 0.5005925000 -0.4428337500 1.0
0.4988150000 0.5011850000 -0.3856675000 1.0
0.4982225000 0.5017775000 -0.3285012500 1.0
0.4976300000 0.5023700000 -0.2713350000 1.0
0.4970375000 0.5029625000 -0.2141687500 1.0
0.4964450000 0.5035550000 -0.1570025000 1.0
0.4958525000 0.5041475000 -0.0998362500 1.0
0.4952600000 0.5047400000 -0.0426700000 1.0
0.5337666667 0.4662333333 -0.0811750000 1.0
0.5722733333 0.4277266667 -0.1196800000 1.0
0.6107800000 0.3892200000 -0.1581850000 1.0
0.6492866667 0.3507133333 -0.1966900000 1.0
0.6877933333 0.3122066667 -0.2351950000 1.0
0.7263000000 0.2737000000 -0.2737000000 1.0
0.6810400000 0.3189600000 -0.3189600000 1.0
0.6357800000 0.3642200000 -0.3642200000 1.0
0.5905200000 0.4094800000 -0.4094800000 1.0
0.5452600000 0.4547400000 -0.4547400000 1.0
0.5000000000 0.5000000000 -0.5000000000 1.0
0.3333333333 0.3333333333 -0.3333333333 1.0
0.1666666667 0.1666666667 -0.1666666667 1.0
0.0000000000 0.0000000000 0.0000000000 1.0
0.0000000000 0.0000000000 0.0625000000 1.0
0.0000000000 0.0000000000 0.1250000000 1.0
0.0000000000 0.0000000000 0.1875000000 1.0
0.0000000000 0.0000000000 0.2500000000 1.0
0.0000000000 0.0000000000 0.3125000000 1.0
0.0000000000 0.0000000000 0.3750000000 1.0
0.0000000000 0.0000000000 0.4375000000 1.0
0.0000000000 0.0000000000 0.5000000000 1.0
0.0426700000 -0.0426700000 0.5047400000 1.0
0.0811750000 -0.0811750000 0.4662333333 1.0
0.1196800000 -0.1196800000 0.4277266667 1.0
0.1581850000 -0.1581850000 0.3892200000 1.0
0.1966900000 -0.1966900000 0.3507133333 1.0
0.2351950000 -0.2351950000 0.3122066667 1.0
0.2737000000 -0.2737000000 0.2737000000 1.0
0.2280833333 -0.2280833333 0.2280833333 1.0
0.1824666667 -0.1824666667 0.1824666667 1.0
0.1368500000 -0.1368500000 0.1368500000 1.0
0.0912333333 -0.0912333333 0.0912333333 1.0
0.0456166667 -0.0456166667 0.0456166667 1.0
0.0000000000 0.0000000000 0.0000000000 1.0
0.0833333333 0.0000000000 0.0000000000 1.0
0.1666666667 0.0000000000 0.0000000000 1.0
0.2500000000 0.0000000000 0.0000000000 1.0
0.3333333333 0.0000000000 0.0000000000 1.0
0.4166666667 0.0000000000 0.0000000000 1.0
0.5000000000 0.0000000000 -0.0000000000 1.0
33 changes: 33 additions & 0 deletions doc/v1.3.0/en/_downloads/fc8a03ca4d72a607207c9c468c338dd3/scf.in
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&CONTROL
calculation = 'scf'
pseudo_dir = '../pseudo'
prefix = 'sr2cuo3'
/
&SYSTEM
ibrav = 0
nat = 6
ntyp = 3
ecutwfc = 30.000000
ecutrho = 240.000000
occupations = 'tetrahedra_opt'
/
&ELECTRONS
mixing_beta = 0.3
/
CELL_PARAMETERS angstrom
-1.749305 1.955690 6.351200
1.749305 -1.955690 6.351200
1.749305 1.955690 -6.351200
ATOMIC_SPECIES
Sr 87.620000 Sr_ONCV_PBE-1.0.upf
Cu 63.546000 Cu_ONCV_PBE-1.0.upf
O 15.999400 O_ONCV_PBE-1.0.upf
ATOMIC_POSITIONS crystal
Sr 0.851940 0.351940 0.500000
Sr 0.148060 0.648060 0.500000
Cu 0.500000 0.000000 0.500000
O 0.654110 0.154110 0.500000
O 0.345890 0.845890 0.500000
O 0.000000 0.000000 0.000000
K_POINTS automatic
4 4 4 0 0 0
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11 changes: 11 additions & 0 deletions doc/v1.3.0/en/_sources/acknowledge.rst.txt
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Acknowledgement
===============

We would like to express our sincere gratitude to Mr. Daisuke Tahara for
providing us his code of variational Monte Carlo method. A part of mVMC
is based on his original code. We also acknowledge Dr. Hiroshi Shinaoka,
Dr. Youhei Yamaji, Dr. Moyuru Kurita, and Dr. Ryui Kaneko for their
cooperation on developing mVMC. We would also like to thank the support
from “Project for advancement of software usability in materials
science” by The Institute for Solid State Physics, The University of
Tokyo, for development of mVMC ver.0.1, ver. 0.2, and ver. 1.0.
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