vasp
6.2.1
16May21 (build Apr 11 2022 11:03:26) complex parallel
Lin64
2023 09 30
22:40:41
No title
0
Normal
Normal (blocked Davidson)
F
1
2
1
180
2
-1
0.00010000
-0.02000000
0
2
1
262.47200000
1.11000000 0.32000000 0.99000000
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4228.08168837
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134
2 2 1
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No title
F
normal
262.47200000
400.00000000
0.00010000
38
10
318
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500.00000000
0
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0
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0.20000000
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1
4
-1
T
F
F
F
F
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3
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F
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0.00000000 0.00000000 0.00000000
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T
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F
134
3
ion
element
atomtype
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
H 2
H 2
H 2
H 2
H 2
H 2
H 2
H 2
H 2
H 2
H 2
H 2
H 2
H 2
H 2
H 2
H 2
H 2
Cl 3
Cl 3
Cl 3
Cl 3
Cl 3
Cl 3
type
atomspertype
element
mass
valence
pseudopotential
110Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001
18H 1.00000000 1.00000000 PAW_PBE H 15Jun2001
6Cl 35.45300000 7.00000000 PAW_PBE Cl 06Sep2000
11.60244000 0.00000000 0.00000000
0.00000000 11.60244000 0.00000000
0.00000000 0.00000000 31.40832000
4228.08168837
0.08618877 0.00000000 0.00000000
0.00000000 0.08618877 0.00000000
0.00000000 0.00000000 0.03183870
0.10282879 0.00064962 0.61267153
0.26139098 0.00653841 0.31066445
0.09422853 0.00745158 0.43744613
0.26193647 0.00338734 0.48040491
0.10507421 0.00693962 0.26262287
0.27588796 0.00440723 0.65338196
0.09382111 0.16840706 0.56873214
0.26065030 0.17271822 0.35331515
0.09116159 0.17426171 0.39422227
0.25951576 0.17149360 0.52356381
0.15649784 0.17403008 0.22418777
0.32440874 0.17208122 0.69240551
0.09259122 0.33529763 0.61285134
0.25931996 0.34037800 0.31165201
0.09070874 0.34109666 0.43729002
0.25868991 0.33808575 0.47994711
0.10346810 0.34032352 0.26324809
0.26664983 0.33776755 0.65411245
0.09505797 0.50361133 0.56910894
0.26031454 0.50749810 0.35382557
0.09013547 0.50920734 0.39451284
0.25798260 0.50522831 0.52294904
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0.09378794 0.66754452 0.61434647
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0.09127717 0.67578735 0.43761625
0.26005922 0.67250597 0.47965888
0.10787626 0.67422660 0.26279900
0.26981554 0.67234079 0.65478215
0.09870085 0.83421440 0.56916902
0.26271171 0.83968059 0.35273219
0.09394256 0.84206754 0.39415778
0.26234377 0.83604036 0.52391696
0.15759280 0.84054119 0.22361080
0.32703117 0.83869645 0.69306488
0.43170031 0.00603464 0.60565767
0.59319651 0.00332838 0.30199567
0.43053627 0.00199189 0.43667587
0.59769808 0.00521942 0.47892193
0.41774494 0.00606389 0.26267443
0.58496503 0.00697081 0.65457424
0.42962989 0.17556792 0.56471694
0.59171448 0.16536837 0.34883925
0.42923388 0.17047508 0.39473280
0.59557874 0.17277979 0.52128255
0.36475550 0.17362817 0.22447291
0.53207152 0.17487853 0.69251569
0.42756121 0.34452337 0.60756123
0.58559517 0.33441718 0.30680349
0.42876948 0.33815467 0.43768366
0.59802910 0.34072377 0.47901967
0.41571436 0.33952319 0.26385879
0.59021658 0.33992848 0.65291031
0.42829964 0.50694756 0.56340452
0.59017720 0.50329240 0.34955315
0.42878060 0.50640499 0.39549755
0.59743818 0.50845371 0.52176730
0.36294780 0.50489742 0.22403751
0.64799375 0.50408509 0.69243175
0.43153633 0.66742506 0.60858157
0.59507387 0.65854893 0.29954604
0.43079181 0.67438621 0.43781236
0.60016633 0.67657965 0.47978035
0.41682234 0.67183124 0.26210851
0.59454990 0.67283382 0.65417661
0.43242710 0.83585698 0.56536697
0.59876206 0.83229743 0.34475660
0.43429831 0.83626523 0.39210812
0.60230750 0.84279758 0.52421722
0.36566190 0.83984404 0.22367754
0.53559365 0.83808714 0.69312915
0.76290841 0.02062715 0.61697807
0.93097105 0.01096902 0.30262449
0.76319847 0.00460209 0.43468638
0.92800283 0.00479671 0.48020111
0.76335190 0.01424111 0.25905146
0.94901019 0.97272218 0.66045817
0.75817991 0.17232190 0.56581175
0.92992430 0.17489843 0.34762306
0.76226933 0.17188641 0.39102392
0.92729882 0.17043388 0.52414522
0.74784074 0.18890363 0.22217161
0.87121544 0.14618514 0.67607446
0.75340891 0.33956139 0.60699488
0.93131264 0.34392505 0.30452200
0.76295013 0.33919480 0.43492864
0.92573646 0.33950898 0.48132462
0.75670951 0.35132624 0.26546626
0.91587897 0.33293536 0.65189779
0.75771476 0.51417074 0.56773968
0.92926609 0.51060661 0.34782548
0.76175746 0.50679185 0.39128996
0.92653162 0.50663240 0.52537949
0.70601137 0.53566987 0.24072920
0.85882660 0.49592046 0.69303812
0.76240971 0.68256868 0.61157889
0.93703360 0.67860425 0.30417624
0.76419540 0.67380852 0.43515897
0.92651634 0.67418984 0.48179778
0.78322389 0.70855504 0.25670395
0.92320122 0.66596643 0.65720609
0.76667950 0.85065355 0.57021200
0.93373629 0.84501059 0.34750998
0.76446535 0.83845676 0.38992422
0.93063109 0.84185934 0.52561090
0.78844184 0.86185380 0.21005613
0.95450001 0.81705893 0.70645196
0.46536643 0.58479418 0.87245901
0.28611769 0.58200251 0.84635495
0.27832600 0.17022176 0.73718336
0.11050944 0.17533585 0.17935017
0.19472655 0.53349090 0.80545157
0.10825717 0.50562312 0.17949173
0.28143102 0.84201086 0.73786934
0.11119104 0.83906425 0.17887980
0.57656392 0.17615562 0.73755728
0.41098583 0.17604534 0.17966977
0.60587302 0.50316478 0.73773992
0.40875719 0.50198279 0.17916986
0.58062687 0.84074988 0.73806421
0.41233725 0.83977357 0.17895381
0.77910649 0.14409811 0.70983564
0.64425518 0.18949284 0.19307430
0.90075857 0.49090084 0.73840696
0.61386198 0.53379616 0.20703800
0.83943660 0.83113670 0.72932224
0.67237810 0.84898162 0.18787834
0.54379087 0.72976107 0.85301507
0.46355195 0.58564420 0.93507105
0.54971364 0.44152929 0.85344711
0.21036855 0.42833613 0.86218158
0.14558313 0.59166960 0.87477310
0.22856368 0.76805038 0.87736989
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