[Pw_forum] ntyp too large, increase NSX

[Zhu Xi]

Hi users

I caculate 82 toms, but the code( V3.2.3)  returns errors, which says " ntyp
too large, increase NSX",

how to solve  this error ? Thanks.




&control
         calculation='relax',
         PSEUDO_DIR='./',
         prefix='GR',
         forc_conv_thr=1.0D-4,
        outdir='./',
/
&SYSTEM
         ibrav = 0,
         celldm(1) = 34.015070944,
         nat = 2,
         ntyp = 82,
         ecutwfc = 50.0 ,
         nosym = .true. ,
/
&electrons
        conv_thr    = 1.D-6,
        mixing_beta = 0.5D0,
/
CELL_PARAMETERS
     1.0    0.000000000    0.000000000
     0.000000000    0.68333333    0.000000000
     0.000000000    0.000000000    0.6666666
ATOMIC_SPECIES
    C    12.00000  C.pz-vbc.UPF
    H     1.00     H.pz-vbc.UPF
ATOMIC_POSITIONS (crystal)
H   0.8789045011003104   0.0999999999999998   0.4999999999999997
H   0.8789045011003104   0.3000000000000000   0.4999999999999997
H   0.1210954988996892   0.9000000000000001   0.4999999999999998
H   0.1210954988996892   0.6999999999999997   0.4999999999999998
H   0.1210954988996892   0.0999999999999999   0.4999999999999999
H   0.1210954988996892   0.3000000000000002   0.4999999999999999
H   0.8789045011003104   0.9000000000000000   0.4999999999999998
H   0.8789045011003104   0.6999999999999996   0.4999999999999998
H   0.8789045011003112   0.4999999999999999   0.4999999999999998
H   0.1210954988996885   0.4999999999999999   0.4999999999999998
H   0.3621981616111121   0.4999999999999999   0.2083333333333333
H   0.6378018383888874   0.4999999999999999   0.2083333333333332
H   0.4311263939444431   0.3252703332520321   0.2083333333333333
H   0.5688736060555563   0.6747296667479678   0.2083333333333332
H   0.5688736060555563   0.3252703332520321   0.2083333333333332
H   0.4311263939444431   0.6747296667479678   0.2083333333333332
C   0.2238810822533565  -0.0000000000000001   0.4999999999999997
C   0.4605477489200225  -0.0000000000000001   0.4999999999999998
C   0.6972144155866894  -0.0000000000000001   0.4999999999999996
C   0.7761189177466430  -0.0000000000000001   0.4999999999999996
C   0.5394522510799771  -0.0000000000000001   0.4999999999999998
............
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