求docfile 已华为内部储存损坏解决的解决办法 谢谢

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计算ECD出错,请求解决办法
计算ecd输出log文件如下错误,请问怎么解决,谢谢
Cannot handle 2e integral symmetry, ISym2E=1.
CISAX:&&IP= 16 NPass=&&24 NMax=& & 17.
CISAX will form& & 17 AO SS matrices at one time.
NMat=& & 17 NSing=& & 17.
NMat=& & 17 NSing=& & 17.
NMat=& & 17 NSing=& & 17.
NMat=& & 17 NSing=& & 17.
NMat=& & 17 NSing=& & 17.
NMat=& & 17 NSing=& & 17.
NMat=& & 17 NSing=& & 17.
NMat=& & 17 NSing=& & 17.
NMat=& & 17 NSing=& & 17.
NMat=& & 17 NSing=& & 17.
NMat=& & 17 NSing=& & 17.
NMat=& & 17 NSing=& & 13.
NMat=& & 17 NSing=& &&&0.
NMat=& & 17 NSing=& &&&0.
NMat=& & 17 NSing=& &&&0.
NMat=& & 17 NSing=& &&&0.
NMat=& & 17 NSing=& &&&0.
NMat=& & 17 NSing=& &&&0.
NMat=& & 17 NSing=& &&&0.
NMat=& & 17 NSing=& &&&0.
NMat=& & 17 NSing=& &&&0.
NMat=& & 17 NSing=& &&&0.
NMat=& & 17 NSing=& &&&0.
NMat=& &&&9 NSing=& &&&0.
New state& && &1 was old state& && &4
New state& && &3 was old state& && &1
New state& && &4 was old state& &&&10
New state& && &5 was old state& &&&14
New state& && &6 was old state& &&&12
New state& && &7 was old state& && &3
New state& &&&10 was old state& &&&13
New state& &&&11 was old state& && &6
New state& &&&12 was old state& && &5
New state& &&&13 was old state& &&&18
New state& &&&14 was old state& && &7
New state& &&&15 was old state& &&&28
New state& &&&16 was old state& &&&34
New state& &&&17 was old state& &&&16
New state& &&&18 was old state& &&&15
New state& &&&19 was old state& &&&11
New state& &&&20 was old state& &&&44
New state& &&&21 was old state& &&&26
New state& &&&22 was old state& &&&17
New state& &&&23 was old state& &&&20
New state& &&&24 was old state& &&&19
New state& &&&25 was old state& &&&24
New state& &&&26 was old state& &&&23
New state& &&&27 was old state& &&&22
New state& &&&28 was old state& &&&21
New state& &&&29 was old state& &&&74
New state& &&&30 was old state& &&&46
New state& &&&31 was old state& &&&70
New state& &&&32 was old state& &&&58
New state& &&&33 was old state& &&&25
New state& &&&34 was old state& &&&48
New state& &&&35 was old state& &&&36
New state& &&&36 was old state& &&&69
New state& &&&37 was old state& &&&40
New state& &&&38 was old state& &&&47
New state& &&&40 was old state& &&&35
New state& &&&41 was old state& &&&56
New state& &&&42 was old state& &&&31
New state& &&&43 was old state& &&&30
New state& &&&44 was old state& &&&32
New state& &&&45 was old state& &&&33
New state& &&&46 was old state& &&&29
New state& &&&47 was old state& &&&76
New state& &&&48 was old state& &&&94
New state& &&&49 was old state& &&&72
New state& &&&50 was old state& &&&52
New state& &&&52 was old state& &&&71
New state& &&&53 was old state& &&&42
New state& &&&54 was old state& &&&41
New state& &&&55 was old state& &&&75
New state& &&&56 was old state& &&&37
New state& &&&57 was old state& &&&38
New state& &&&58 was old state& &&&50
New state& &&&59 was old state& &&&57
New state& &&&60 was old state& &&&54
New state& &&&61 was old state& &&&62
New state& &&&62 was old state& &&&53
New state& &&&63 was old state& &&&55
New state& &&&64 was old state& &&&82
New state& &&&65 was old state& &&&49
New state& &&&66 was old state& &&&64
New state& &&&67 was old state& &&&92
New state& &&&68 was old state& &&&63
New state& &&&69 was old state& &&&80
New state& &&&70 was old state& &&&60
New state& &&&71 was old state& &&&59
New state& &&&72 was old state& &&&61
New state& &&&73 was old state& & 100
New state& &&&74 was old state& &&&68
New state& &&&75 was old state& &&&67
New state& &&&76 was old state& &&&65
New state& &&&77 was old state& &&&88
New state& &&&78 was old state& &&&84
New state& &&&79 was old state& &&&87
New state& &&&80 was old state& &&&66
New state& &&&81 was old state& &&&91
No map to state& &&&82
New state& &&&83 was old state& &&&27
New state& &&&84 was old state& &&&99
No map to state& &&&85
New state& &&&86 was old state& &&&43
New state& &&&87 was old state& &&&86
New state& &&&88 was old state& &&&83
New state& &&&89 was old state& &&&79
New state& &&&90 was old state& &&&96
New state& &&&91 was old state& &&&90
New state& &&&92 was old state& &&&95
New state& &&&93 was old state& &&&45
New state& &&&94 was old state& &&&89
New state& &&&95 was old state& &&&85
New state& &&&96 was old state& &&&77
No map to state& &&&97
No map to state& &&&98
No map to state& &&&99
No map to state& & 100
Excitation Energies&&at current iteration:
Root& && &1 :& &&&2.561
Root& && &2 :& &&&2.634
Root& && &3 :& &&&2.755
Root& && &4 :& &&&2.424
Root& && &5 :& &&&2.818
Root& && &6 :& &&&2.899
Root& && &7 :& &&&2.656
Root& && &8 :& &&&2.246
Root& && &9 :& &&&2.800
Root& &&&10 :& &&&3.566
Root& &&&11 :& &&&3.110
Root& &&&12 :& &&&3.580
Root& &&&13 :& &&&3.773
Root& &&&14 :& &&&3.460
Root& &&&15 :& &&&4.033
Root& &&&16 :& &&&4.187
Root& &&&17 :& &&&4.246
Root& &&&18 :& &&&4.885
Root& &&&19 :& &&&4.679
Root& &&&20 :& &&&4.115
Root& &&&21 :& &&&4.818
Root& &&&22 :& &&&4.961
Root& &&&23 :& &&&4.696
Root& &&&24 :& &&&4.507
Root& &&&25 :& &&&4.502
Root& &&&26 :& &&&4.270
Root& &&&27 :& &&&4.598
Root& &&&28 :& &&&4.545
Root& &&&29 :& &&&4.352
Root& &&&30 :& &&&4.128
Root& &&&31 :& &&&4.867
Root& &&&32 :& &&&5.746
Root& &&&33 :& &&&5.453
Root& &&&34 :& &&&5.431
Root& &&&35 :& &&&5.678
Root& &&&36 :& &&&5.988
Root& &&&37 :& &&&5.823
Root& &&&38 :& &&&5.445
Root& &&&39 :& &&&5.073
Root& &&&40 :& &&&5.805
Root& &&&41 :& &&&5.314
Root& &&&42 :& &&&5.117
Root& &&&43 :& &&&5.588
Root& &&&44 :& &&&5.248
Root& &&&45 :& &&&5.204
Root& &&&46 :& &&&5.240
Root& &&&47 :& &&&5.560
Root& &&&48 :& &&&5.540
Root& &&&49 :& &&&5.966
Root& &&&50 :& &&&5.151
Root& &&&51 :& &&&5.505
Root& &&&52 :& &&&5.621
Root& &&&53 :& &&&5.460
Root& &&&54 :& &&&5.421
Root& &&&55 :& &&&5.936
Root& &&&56 :& &&&5.457
Root& &&&57 :& &&&5.890
Root& &&&58 :& &&&5.174
Root& &&&59 :& &&&5.933
Root& &&&60 :& &&&5.581
Root& &&&61 :& &&&5.492
Root& &&&62 :& &&&5.415
Root& &&&63 :& &&&5.925
Root& &&&64 :& &&&5.244
Root& &&&65 :& &&&5.294
Root& &&&66 :& &&&5.753
Root& &&&67 :& &&&5.516
Root& &&&68 :& &&&5.002
Root& &&&69 :& &&&5.282
Root& &&&70 :& &&&5.745
Root& &&&71 :& &&&5.555
Root& &&&72 :& &&&5.401
Root& &&&73 :& &&&5.877
Root& &&&74 :& &&&5.289
Root& &&&75 :& &&&5.618
Root& &&&76 :& &&&5.022
Root& &&&77 :& &&&5.501
Root& &&&78 :& &&&6.886
Root& &&&79 :& &&&6.514
Root& &&&80 :& &&&6.642
Root& &&&81 :& &&&6.686
Root& &&&82 :& &&&6.608
Root& &&&83 :& &&&6.835
Root& &&&84 :& &&&6.154
Root& &&&85 :& &&&6.914
Root& &&&86 :& &&&6.845
Root& &&&87 :& &&&6.037
Root& &&&88 :& &&&6.812
Root& &&&89 :& &&&6.374
Root& &&&90 :& &&&6.831
Root& &&&91 :& &&&6.700
Root& &&&92 :& &&&6.475
Root& &&&93 :& &&&6.206
Root& &&&94 :& &&&6.476
Root& &&&95 :& &&&6.242
Root& &&&96 :& &&&6.444
Root& &&&97 :& &&&6.271
Root& &&&98 :& &&&6.121
Root& &&&99 :& &&&6.576
Root& & 100 :& &&&6.051
Iteration& &&&2 Dimension& &600 NMult& &600
Cannot handle 2e integral symmetry, ISym2E=1.
CISAX:&&IP= 16 NPass=&&12 NMax=& & 17.
CISAX will form& & 17 AO SS matrices at one time.
NMat=& & 17 NSing=& & 17.
NMat=& & 17 NSing=& & 17.
NMat=& & 17 NSing=& & 17.
NMat=& & 17 NSing=& & 17.
NMat=& & 17 NSing=& & 17.
NMat=& & 17 NSing=& & 13.
NMat=& & 17 NSing=& &&&0.
NMat=& & 17 NSing=& &&&0.
NMat=& & 17 NSing=& &&&0.
NMat=& & 17 NSing=& &&&0.
NMat=& & 17 NSing=& &&&0.
NMat=& & 13 NSing=& &&&0.
Cannot handle 2e integral symmetry, ISym2E=1.
CISAX:&&IP= 16 NPass=&&12 NMax=& & 17.
CISAX will form& & 17 AO SS matrices at one time.
NMat=& & 17 NSing=& & 17.
NMat=& & 17 NSing=& & 17.
NMat=& & 17 NSing=& & 17.
NMat=& & 17 NSing=& & 17.
NMat=& & 17 NSing=& & 17.
NMat=& & 17 NSing=& & 13.
NMat=& & 17 NSing=& &&&0.
NMat=& & 17 NSing=& &&&0.
NMat=& & 17 NSing=& &&&0.
NMat=& & 17 NSing=& &&&0.
NMat=& & 17 NSing=& &&&0.
NMat=& & 13 NSing=& &&&0.
DiagDN has N=& &600 LTot=&&1832 but NE2=& &299 cannot use DSYEVD.
DiagDN has N=& &600 LTot=&&1832 but NE2=& &299 cannot use DSYEVD.
Renormalizing I= 95 Err= 4.89D-03
Renormalizing I= 96 Err= 5.86D-03
Renormalizing I= 97 Err= 3.15D-03
Renormalizing I= 98 Err= 2.88D-03
Renormalizing I= 99 Err= 2.90D-03
Renormalizing I=100 Err= 6.82D-03
Erroneous write. Write -1 instead of 240.
orig len = 240 left = 240
是在linux 系统下计算的,请问怎么在输入文件里指定足够的空间?谢谢
%nprocshared=16
#p td=(50-50,nstates=50,root=6) b3lyp/6-31++g(d,p)
scrf=(cpcm,solvent=methanol) geom=connectivity
这是我的输入文件,您看需要加入什么?非常感谢&&菜鸟实在不太懂啊 直接加%rwf=1.rwf,2gb 吗?
geom=connectivity& &这个不需要吗?
我一般不用,计算很顺利。
行 这回我试试
Cycle&&47&&Pass 1&&IDiag&&1:
RMSU=&&1.88D-08& & CP:&&1.00D+00&&1.62D+00&&1.24D+00&&2.12D+00&&3.00D+00
& && && && && && &&&CP:&&8.57D-01&&1.50D+00
E= -2909& &&&Delta-E=& && & -0. Rises=F Damp=F
DIIS: error= 1.81D-08 at cycle&&47 NSaved=&&16.
NSaved=16 IEnMin=10 EnMin= -5843& &&&IErMin= 1 ErrMin= 6.30D-09
ErrMax= 1.81D-08 EMaxC= 1.00D-01 BMatC= 2.81D-14 BMatP= 4.07D-15
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Large coefficients: NSaved= 16 BigCof=& & 0.00 CofMax=& &10.00 Det=-2.40D-18
Inversion failed.&&Reducing to 15 matrices.
Coeff-Com:&&0.163D+00 0.646D+00-0.152D+00 0.176D+01-0.132D+01 0.886D+00
Coeff-Com: -0.164D+01-0.760D+00 0.210D+01-0.817D+00-0.272D+01 0.229D+01
Coeff-Com:&&0.243D+00 0.446D+00-0.124D+00
Coeff:& && &0.163D+00 0.646D+00-0.152D+00 0.176D+01-0.132D+01 0.886D+00
Coeff:& &&&-0.164D+01-0.760D+00 0.210D+01-0.817D+00-0.272D+01 0.229D+01
Coeff:& && &0.243D+00 0.446D+00-0.124D+00
Gap=& &&&0.106 Goal=& &None& & Shift=& & 0.000
RMSDP=8.19D-09 MaxDP=4.31D-07 DE=-1.33D-09 OVMax= 1.01D-09
Error on total polarization charges =&&0.03187
SCF Done:&&E(RB+HF-LYP) =&&-3& &&&A.U. after& &47 cycles
& && && && & Convg&&=& & 0.8186D-08& && && && & -V/T =&&2.0092
& && && && & S**2& &=& &0.0000
KE= 1.D+03 PE=-7.D+03 EE= 2.D+03
--------------------------------------------------------------------
Variational C-PCM results
=========================
&psi(f)|& &H& & |psi(f)&& && && && && && && &(a.u.) =& &-
&psi(f)|H+V(f)/2|psi(f)&& && && && && && && &(a.u.) =& &-
Total free energy in solution:
&&with all non electrostatic terms& && && && &(a.u.) =& &-
--------------------------------------------------------------------
(Polarized solute)-Solvent& && && && && &(kcal/mol) =& &&&-29.07
--------------------------------------------------------------------
Cavitation energy& && && && && && && && &(kcal/mol) =& && &32.09
Dispersion energy& && && && && && && && &(kcal/mol) =& &&&-26.38
Repulsion energy& && && && && && && && & (kcal/mol) =& && & 1.75
Total non electrostatic& && && && && && &(kcal/mol) =& && & 7.46
--------------------------------------------------------------------
Partition over spheres:
Sphere&&on Atom&&Surface&&Charge& &GEl& &&&GCav& & GDR
& & 1& && &C1& && &17.58&&-0.050& &-1.05& & 1.69& &-1.56
& & 2& && &C2& && &17.56&&-0.052& &-1.04& & 1.69& &-1.56
& & 3& && &C3& && &14.36&&-0.028& &-0.40& & 1.67& &-1.46
& & 4& && &C4& && & 1.98&&-0.001& &-0.01& & 0.37& &-0.22
& & 5& && &C5& && & 1.97&&-0.002& &-0.01& & 0.37& &-0.22
& & 6& && &C6& && &14.46&&-0.032& &-0.49& & 1.68& &-1.47
& & 7& && &C7& && & 3.52&&-0.018& &-0.09& & 0.57& &-0.41
& & 8& && &C8& && & 1.15&&-0.001& &-0.01& & 0.28& &-0.13
& & 9& && &C9& && & 2.36&&-0.011& &-0.09& & 0.53& &-0.26
& &10& && &C10& && &3.67&&-0.026& &-0.20& & 0.60& &-0.43
& &11& && &O11& &&&14.89& &0.157& &-2.32& & 1.82& &-1.50
& &12& && &O12& &&&13.44& &0.159& &-2.62& & 1.71& &-1.38
& &13& && &C13& &&&13.37&&-0.055& &-0.37& & 2.08& &-1.33
& &14& && &C14& && &6.18&&-0.043& &-0.51& & 0.72& &-0.59
& &15& && &O15& && &4.64& &0.045& &-0.48& & 0.78& &-0.49
& &16& && &C16& && &0.94& &0.002& & 0.00& & 0.20& &-0.07
& &17& && &C17& && &1.39& &0.002& &-0.01& & 0.36& &-0.14
& &18& && &C18& &&&14.29&&-0.012& &-0.16& & 1.72& &-1.50
& &19& && &C19& && &2.47&&-0.001& & 0.00& & 0.38& &-0.22
& &20& && &C20& && &2.39&&-0.003& &-0.01& & 0.38& &-0.22
& &21& && &C21& &&&12.12&&-0.011& &-0.66& & 1.62& &-1.20
& &22& && &C22& && &2.52&&-0.014& &-0.02& & 0.51& &-0.26
& &23& && &O23& && &0.00& &0.000& & 0.00& & 0.07& & 0.00
& &24& && &C24& &&&49.02&&-0.118& &-0.65& & 4.53& &-2.87
& &25& && &O25& &&&19.73&&-0.073& &-6.48& & 2.16& &-2.10
& &26& && &O26& &&&19.68& &0.069& &-2.64& & 2.16& &-1.90
& &27& && &O27& &&&11.68& &0.143& &-2.74& & 1.45& &-1.13
Added spheres:& &101.55&&-0.058& &-6.04& & 0.00& & 0.00
--------------------------------------------------------------------
After PCM corrections, the SCF energy is&&-3& &&&a.u.
--------------------------------------------------------------------
Leave Link&&502 at Tue Jun 16 03:55:17 2015, MaxMem=&& cpu:& &60658.2
(Enter /home/GRID/Applications/g03/l801.exe)
ExpMin= 3.60D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=& && && &5 AccDes= 0.00D+00
HarFok:&&IExCor= 205 AccDes= 0.00D+00 IRadAn=& && && &5 IDoV=1
ScaDFX=&&1....000000
Largest valence mixing into a core orbital is&&5.12D-05
Largest core mixing into a valence orbital is&&9.39D-06
Range of M.O.s used for correlation:& & 28& &590
NBasis=& &597 NAE=& & 95 NBE=& & 95 NFC=& & 27 NFV=& &&&0
NROrb=& & 563 NOA=& & 68 NOB=& & 68 NVA=& &495 NVB=& &495
**** Warning!!: The largest alpha MO coefficient is&&0.
Leave Link&&801 at Tue Jun 16 03:55:21 2015, MaxMem=&& cpu:& && &11.5
(Enter /home/GRID/Applications/g03/l914.exe)
RHF ground state
DFT=T DoStab=F Mixed=T DoRPA=T DoScal=F NonHer=T
Would need an additional
words for in-memory AO integral storage.
NEqPCM:&&Eps=&&32.6300 EpsInf=& &1.7580 NTPCM=& &
Making orbital integer symmetry assigments:
Orbital symmetries:
& && & Occupied&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && & Virtual& &(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
& && && && && &&&(A) (A) (A)
& &400 initial guesses have been made.
Convergence on wavefunction:& & 0.000
Davidson Disk Diagonalization:&&ConvIn= 1.00D-03 SkipCon=T Conv= 1.00D-03.
MSek=&&400 requested MaxMI=&&400 MaxDav=&&800.
Error termination via Lnk1e in /home/GRID/Applications/g03/l914.exe at Tue Jun 16 03:55:27 2015.
Job cpu time:&&0 days 16 hours 56 minutes 57.4 seconds.
File lengths (MBytes):&&RWF=& &1038 Int=& && &0 D2E=& && &0 Chk=& && &9 Scr=& && &1
RWF 1038&&这个怎么办啊?谢谢
%nprocshared=16
#p td=(50-50,nstates=50,root=6) b3lyp/6-31++g(d,p) scrf=(cpcm,solvent=methanol) geom=connectivity
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随时随地聊科研求解决docfile 已损坏的解决办法 谢谢_flash吧_百度贴吧
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求解决docfile 已损坏的解决办法 谢谢收藏
swf用闪客精灵导出flash,打开就提示如上图。拜求帮助。先谢谢啦
flash教程首选&达内&,Adobe公司联合达内共同推出flash教程.直接使用Adobe创意大学原厂技术与教材的flash教程,详询1
等啊等!不知道为什么没人理,不懂规矩还是触犯了什么?拜托…
没有任何办法
真的就没办法了?
可以试试换一款反编译软件看看下面这一款:反编译后如果还是相同的提示,证明swf文件本身有问题。建议你共享出来,让大家帮忙分析一下反编译后如果能正常打开,说明你的闪客精灵有问题
这纯粹是一段视频 别无其他反编译成fla文件也无法编辑只能导出flv视频 然后导入flash内 加上文字 【无法编辑视频】
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本站已经通过实名认证,所有内容由杜亚辉大夫本人发表
求给个解决方法,谢谢 
状态:就诊前
希望提供的帮助:
这个情况除了微创手术还有什么方法可以痊愈
所就诊医院科室:
成都西南脑科医院 神经科
治疗情况:
医院科室:
治疗过程:无
用药情况:
服用说明:每日早晚各一个小粉色药丸,点滴的药物没有问
检查资料:
&副主任医师
需要做头和颈部血管成像CTA,确诊脑血管病变,并化验风湿免疫等指标,根据结果选择治疗方案。
状态:就诊前
全部都检查了,医生说的是那个地方出现了缺血灶,
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病情描述:我爸现在心里压力挺大得想请您尽快安排手术,知道您是这方面得权威人士,我们十分相信您,请问能尽快安排我们住院吗,我代表全家谢谢您,
疾病名称:脑梗死,治疗和预防,远程缺血锻炼是什么?&&
希望得到的帮助:治疗,和预防!
病情描述:现在脑梗死,左侧活动受限,能走胳膊恢复慢
疾病名称:脑梗塞&&
希望得到的帮助:是否需要就诊?就诊前做哪些准备?,
病情描述:磁共振示脑干急性期脑梗塞,脑双侧动脉多处狭窄,基底动脉局部狭窄
疾病名称:脑梗&&
希望得到的帮助:请问这样的梗塞有什么好的治疗方法么。
病情描述:现在左手可动,左脚可挪动。半月前出院,现时间在针灸。已针灸半个月
疾病名称:脑梗死复查病情加重,怎么办&&
希望得到的帮助:病人下一步该怎么办?还要做什么检查或治疗吗?病人还年轻才36岁。非常希望得到你的建...
病情描述:2014年12月病人急性脑梗死,症状是走路不稳,话语不清。无三高,同型半胱氨酸高。在当地医院输液半月,没有后遗症,出院后保守治疗
今年7月份河北二院复查,核磁显示病情严重了。但是病人现...
疾病名称:脑梗塞&&
希望得到的帮助:有什么办法可以治愈,什么药可以控制
病情描述:我父亲一直患有高血压,一周前发现左胳膊没有力气,头晕,在我们当地医院做了检查,说是脑梗,做了核磁共振大夫说,位置不好,多发性脑梗,麻烦大夫帮我看看这个是脑梗吗?出的位置如何?除了手...
疾病名称:脑梗塞&&
希望得到的帮助:希望大夫帮忙看下能不能、需不需要做手术
病情描述:大夫您好,请救救我父亲,我父亲高血压很多年了年轻时就有,7月末出现话特别多的情况,当时家里没人,亲戚们察觉到了,7月31号下午左边肢体不能动,左边脸不能动,8月1号到现在一直在医院住院,...
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杜亚辉大夫的信息
出血性/缺血性脑血管病的诊断和治疗,如颈动脉狭窄/脑血管狭窄闭塞开通和支架,蛛网膜下腔出血颅内动脉瘤/动...
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