DELTA 87 4669 653
SVN ИЛtВX Бi АВ3 БRЖDП ГaВ2Д ВЖРВVXYZ = zeros(n1,n2,n3);
  psi_XYZ(idxnz) = psi{n};
  % real space          
  psi_xyz = ifft(ifft(ifft(psi_XYZ,[],1),[],2),[],3);
  figure(1);
  mesh(abs(psi_XYZ(:,:,1)))
  title('wave function in reciprocal space');
  figure(3)
  mesh(abs(psi_xyz(:,:,n3/2)))
  title('wave function in real space');grid
  end
  n3/2grid
  end
endENDREP
DELTA 87 283 693
SVN Й[Л Бv Б Б ВjББ Б)ДАO В*Е)АБ# БWИБt2%% restart from a previous wave function
if (exist('X'))
    options.X0 = X;
end-0.4540   -0.1258   -0.1234   -0.1233   -0.1233   -0.0647];
% L = 20; ecut = 21; mpbc = 1;
%   eigvals = [-0.4561   -0.1351   -0.1222   -0.1179   -0.1170   -0.0719ENDREP
id: lg.a.r88/721
type: file
pred: lg.a.r87/7787
count: 1
text: 88 0 382 1524 3bbbbb2116798e6758696a98e6433259
cpath: /matlab/kssolv.euniv/plot_wf.m
copyroot: 76 /matlab/kssolv.euniv

id: ld.a.r88/904
type: file
pred: ld.a.r87/9031
count: 1
text: 88 407 290 1438 95cf599f5d949a8aff2d8a5f06629877
cpath: /matlab/kssolv.euniv/hydrogen_setup.m
copyroot: 76 /matlab/kssolv.euniv

PLAIN
K 5
@Atom
V 20
dir fy.0.r59/3073974
K 9
@FreqMask
V 17
dir fz.a.r87/8653
K 4
@Ham
V 18
dir g0.a.r87/11665
K 9
@Molecule
V 18
dir g1.a.r87/10240
K 8
@Wavefun
V 20
dir g2.0.r59/3107836
K 9
PseudoPot
V 20
dir g3.0.r59/3092277
K 6
README
V 21
file i9.0.r59/3100078
K 4
Util
V 20
dir g4.0.r59/3076228
K 10
al_setup.m
V 21
file he.0.r59/3095187
K 10
alanine.in
V 21
file ih.0.r59/3107985
K 15
alanine_setup.m
V 21
file gy.0.r59/3092429
K 9
alookup.m
V 21
file kf.0.r59/3099002
K 13
andersonmix.m
V 21
file kp.0.r59/3099770
K 15
benzene_setup.m
V 21
file iu.0.r59/3074120
K 12
broydenmix.m
V 21
file j3.0.r59/3075658
K 13
broydenmix1.m
V 21
file h6.0.r59/3093654
K 14
c12h26_setup.m
V 21
file hh.0.r59/3096720
K 12
c2h6_setup.m
V 21
file gs.0.r59/3076371
K 11
chebyfilt.m
V 21
file gh.0.r59/3074891
K 10
chebyscf.m
V 21
file j7.0.r59/3076840
K 11
co2_setup.m
V 21
file ks.0.r59/3100376
K 16
ctube661_setup.m
V 21
file km.0.r59/3099611
K 5
dcm.m
V 21
file kr.0.r59/3100227
K 9
elookup.m
V 21
file ki.0.r59/3099309
K 12
fermidirac.m
V 21
file k9.0.r59/3098236
K 7
genX0.m
V 21
file ig.0.r59/3108138
K 9
genprec.m
V 18
file js.a.r87/8841
K 9
getEcor.m
V 21
file hl.0.r59/3097330
K 10
getEcoul.m
V 21
file g5.0.r59/3100529
K 9
getEext.m
V 21
file ha.0.r59/3094114
K 14
getEharmonic.m
V 21
file k8.0.r59/3098080
K 9
getEion.m
V 21
file ho.0.r59/3097632
K 12
getEntropy.m
V 21
file h5.0.r59/3093501
K 8
getExc.m
V 21
file i3.0.r59/3099462
K 12
getV1overR.m
V 18
file le.a.r87/7429
K 9
getVbox.m
V 19
file li.a.r87/11850
K 14
getVharmonic.m
V 21
file gv.0.r59/3076994
K 11
getatypes.m
V 21
file jf.0.r59/3093961
K 11
getcharge.m
V 21
file im.0.r59/3072451
K 12
getealphat.m
V 21
file gp.0.r59/3075504
K 10
getewald.m
V 21
file h2.0.r59/3093047
K 8
getnel.m
V 21
file go.0.r59/3075355
K 8
getocc.m
V 21
file it.0.r59/3073035
K 9
getvhxc.m
V 21
file hc.0.r59/3094576
K 9
getvion.m
V 21
file gl.0.r59/3075043
K 9
getvtot.m
V 21
file h3.0.r59/3093200
K 7
getwq.m
V 21
file jv.0.r59/3097179
K 17
glutamine_setup.m
V 21
file hb.0.r59/3094264
K 7
gmpcg.m
V 21
file ja.0.r59/3093350
K 18
graphene30_setup.m
V 21
file gm.0.r59/3075195
K 16
graphite_setup.m
V 21
file j5.0.r59/3076525
K 11
h2o_setup.m
V 21
file ix.0.r59/3074431
K 12
hnco_setup.m
V 21
file kd.0.r59/3098540
K 16
hydrogen_setup.m
V 17
file ld.a.r88/904
K 8
isopsi.m
V 21
file kc.0.r59/3098390
K 12
johnsonmix.m
V 21
file j9.0.r59/3092891
K 9
kerkmix.m
V 21
file g8.0.r59/3100824
K 9
lanczos.m
V 21
file g7.0.r59/3100675
K 20
landau_level_setup.m
V 18
file lh.a.r87/8140
K 11
linsearch.m
V 21
file hy.0.r59/3098694
K 9
loadppt.m
V 21
file je.0.r59/3093810
K 8
lobpcg.m
V 18
file jh.a.r87/7599
K 11
nic_setup.m
V 21
file h0.0.r59/3092739
K 10
outpwscf.m
V 21
file jn.0.r59/3094884
K 17
pentacene_setup.m
V 21
file ga.0.r59/3108287
K 9
plot_wf.m
V 17
file lg.a.r88/721
K 10
polyline.m
V 21
file ip.0.r59/3072605
K 9
polymod.m
V 21
file hg.0.r59/3096262
K 11
potmixing.m
V 21
file jq.0.r59/3096107
K 12
pseudoinit.m
V 21
file jt.0.r59/3096564
K 13
ptnio_setup.m
V 21
file iz.0.r59/3074584
K 10
pulaymix.m
V 21
file iy.0.r59/3074278
K 12
qdot_setup.m
V 21
file hj.0.r59/3097026
K 5
scf.m
V 18
file jo.a.r87/7954
K 10
setksopt.m
V 21
file i2.0.r59/3099155
K 13
si2h4_setup.m
V 21
file i0.0.r59/3098847
K 14
sibulk_setup.m
V 21
file jl.0.r59/3094728
K 12
sih4_setup.m
V 21
file gz.0.r59/3092586
K 9
slookup.m
V 21
file kq.0.r59/3099926
K 7
sum3d.m
V 21
file hq.0.r59/3097934
K 7
trdcm.m
V 21
file gj.0.r59/3074740
K 8
trdcm1.m
V 21
file jy.0.r59/3097782
K 7
vol3d.m
V 21
file hk.0.r59/3096876
K 13
vol3dtool.fig
V 21
file ge.0.r59/3072824
K 11
vol3dtool.m
V 21
file j6.0.r59/3076685
K 10
vrendpsi.m
V 21
file hp.0.r59/3097480
K 10
vrendrho.m
V 21
file j8.0.r59/3077149
END
ENDREP
id: fx.a.r88/4817
type: dir
pred: fx.a.r87/15740
count: 3
text: 88 1096 3708 3708 0bcac9becb2c6086af9cd7b1ed34d22d
cpath: /matlab/kssolv.euniv
copyroot: 76 /matlab/kssolv.euniv

PLAIN
K 8
DOWNLOAD
V 21
file jz.0.r59/3112381
K 6
README
V 21
file i5.0.r59/3112785
K 12
kssolv.euniv
V 17
dir fx.a.r88/4817
K 11
kssolv.orig
V 20
dir fx.0.r59/3111969
K 10
kssolv.pdf
V 21
file ie.0.r59/3112583
K 12
kssolvug.pdf
V 21
file ic.0.r59/3112177
END
ENDREP
id: fw.0.r88/5262
type: dir
pred: fw.0.r87/16184
count: 3
text: 88 4995 254 254 ae89cdbf99b8741e8f53cf1f4cae01d1
cpath: /matlab
copyroot: 0 /

PLAIN
K 7
COPYING
V 19
file 6g.0.r1/820594
K 8
Doxyfile
V 15
file 7i.0.r5/53
K 7
INSTALL
V 18
file e.0.r1/781061
K 6
README
V 19
file 6h.0.r1/820723
K 3
doc
V 17
dir c.0.r1/780943
K 8
examples
V 17
dir 6o.0.r82/1141
K 6
matlab
V 17
dir fw.0.r88/5262
K 10
potentials
V 17
dir 4.0.r1/780487
K 7
src.alf
V 17
dir f.9.r69/12827
K 8
src.orig
V 18
dir 9e.0.r84/13940
K 7
src.wei
V 18
dir 9e.7.r86/11726
K 4
util
V 18
dir 6i.0.r1/821942
K 3
xml
V 17
dir 1.0.r1/778941
END
ENDREP
id: 0.0.r88/5877
type: dir
pred: 0.0.r87/16800
count: 88
text: 88 5405 459 459 4ce4bfbccc803ec3dbeea61583ecb94f
cpath: /
copyroot: 0 /

ld.a.t87-1 modify true false /matlab/kssolv.euniv/hydrogen_setup.m

lg.a.t87-1 modify true false /matlab/kssolv.euniv/plot_wf.m


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