[Pw_forum] error scf calculation

[Said Asma]

Dear Quantum Espresso users,


 I relaxed the wurtzite structure GaBi then I extracted the new atomic 
positions from the result file relax.out and I included them in the scf.in.
However, the scf.out gives me the error "from f_mkdir: error # 195 invalid character "

Why such a problem occurs?

My input file is as following:


&control
    calculation='scf'
    prefix='gabiwrelaxé'
    pseudo_dir = '/home/user/Bureau/pseudo/',
    outdir='/home/user/Bureau/'
 /
 &system
         ibrav = 4,
         celldm(1) =9.3,
         celldm(3) = 1.63,
         nat = 4,
         ntyp = 2,
         ecutwfc = 50,
        
/
 &electrons
             mixing_mode = 'plain' ,
             mixing_beta = 0.7 ,
             diagonalization = 'david' ,
             conv_thr = 1.0d-5,
             electron_maxstep = 1000
 /
ATOMIC_SPECIES
 Ga  69.723  Ga.pz-bhs.UPF
 Bi  208.980 Bi.pz-mt-dc.UPF
ATOMIC_POSITIONS {crystal}
Ga       0.666666667   0.333333333   0.002090928
Ga       0.333333333   0.666666667   0.502090928
Bi       0.666666667   0.333333333   0.377909072
Bi       0.333333333   0.666666667   0.877909072

K_POINTS automatic
 12 12 6 1 1 1


Any help would be appreciated.
Best regards,


Said Asma
Faculty of Sciences of Monastir
Tunisia
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