吧主大大，我的relax计算了很多步了，中间连接断了一次，请问怎么样才可以接着之前的结果算呢?我看别的地方说可以写restart_mode=restart,改好了之后再次运行显示error:band line in namelist &control outdir="./tmp"
请问应该怎么继续之前的结果算呢：蟹蟹蟹蟹~
下面是我的输入文件
&CONTROL
calculation ="relax", !{scf,nscf,bands,relax,md,vc-relax,vc-md}
!title='reprinted on output',
prefix = "geas",
restart_mode=restart,
outdir = "./tmp",
pseudo_dir = "../..//pseudopotentials/",
wf_collect=.TRUE.
etot_conv_thr=3.67D-6,
forc_conv_thr=3.67D-4
!tstress='if vc-md|vc-relax .TRUE. else .false.'
/
&SYSTEM
ibrav=8,A=22.377604,B=3.833259,C=21.502293
ecutwfc=40,ecutrho=480,
occupations="smearing",degauss=0.0019,smearing="fd",
nat=24,ntyp=2,tot_charge=0.00000,
vdw_corr= "dft-d",
/
&ELECTRONS
/
&IONS
ion_dynamics="bfgs",
/
&CELL
cell_dynamics="bfgs",
/
ATOMIC_SPECIES
Ge 72.6 Ge.pbesol-dn-rrkjus_psl.0.2.2.UPF
As 74.9 As.pbesol-n-rrkjus_psl.0.2.UPF
ATOMIC_POSITIONS (crystal)
Ge 0.89955 0.00000 0.30240
As 0.65285 0.00000 0.06971
Ge 0.39955 0.50000 0.30240
As 0.15285 0.50000 0.06971
Ge 0.48400 0.00000 0.00000
As 0.73070 0.00000 0.23269
Ge 0.98400 0.50000 0.00000
As 0.23070 0.50000 0.23269
Ge 0.71761 0.50000 0.03821
Ge 0.02713 0.50000 0.25375
As 0.91880 0.50000 0.23038
As 0.80910 0.50000 0.10403
Ge 0.21761 0.00000 0.03821
Ge 0.52713 0.00000 0.25375
As 0.41880 0.00000 0.23038
As 0.30910 0.00000 0.10403
Ge 0.66594 0.50000 0.26419
Ge 0.35642 0.50000 0.04865
As 0.46475 0.50000 0.07202
As 0.57445 0.50000 0.19837
Ge 0.16594 0.00000 0.26419
Ge 0.85642 0.00000 0.04865
As 0.96475 0.00000 0.07202
As 0.07445 0.00000 0.19837
K_POINTS (automatic)
2 12 1 0 0 0

要加引号restart_mode='restart', 或者用输出最后一步的结构作为初始结构来算，这样就不用改restart_mode。