[QE-users] Error while bands calculation using ibrav=0

[Chandraprakash Samariya]

Error Code:

*Error in routine cell_base_init (1):*
*     ibrav=0: must read cell parameters*

Input file:
*&CONTROL*
*calculation = 'bands'*
*prefix = 'm1'*
*max_seconds = 8.64000e+14*
*pseudo_dir = './'*
*outdir = './'*
*tprnfor = .TRUE.*
*tstress = .TRUE.*
*/*
*&SYSTEM*
*celldm(1)=15.15713426*
*degauss = 1.00000e-02*
*ecutrho = 500*
*ecutwfc = 78*
*ibrav = 0*
*nat = 48*
*ntyp = 5*
*occupations = 'smearing'*
*smearing = 'gaussian'*
*/*
*&ELECTRONS*
*conv_thr = 1.00000e-06*
*electron_maxstep = 200*
*mixing_beta = 5.00000e-01*
*startingpot = 'atomic'*
*startingwfc = 'atomic+random'*
*/*
*K_POINTS {tpiba_b}*
*16*
*gG 20*
*X 20*
*S 20*
*Y 20*
*gG 20*
*Z 20*
*U 20*
*R 20*
*T 20*
*Z 0*
*Y 20*
*T 0*
*U 20*
*X 0*
*S 20*
*R 0*

*CELL_PARAMETERS {alat=15.15713426}*
*   0.994779578   0.000000000   0.000000000*
*   0.000000000   1.511882432   0.000000000*
*   0.000000000   0.000000000   1.100137286*


*ATOMIC_SPECIES*
*.*
*.*
*.*

*ATOMIC_POSITIONS {angstrom}*
*.*
*.*
*.*

It successfully read the cell_parameters for scf calculation with ibrav=0
with similar input structure but giving error (i think, not reading the
cell_parameters card) for bands calculation.
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