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[garcialjm@unican.es]

Dear Abinit forum members,

I have problem to generate the KSS file with the latest version of ABINIT (I 
had also problems with previous versions). I have run the calculation in 
several plataforms, but it always stops without any error message. This is 
the input file:

INPUT FILE

acell 17.598 9.059 6.643 angstrom  
                  
enunit 1

nbandkss -1

istwfk 1 1

symmorphi 0

ntypat 5          
znucl 78 17 7 6 1 
                  
nband 200

natom  92
natrd  12         
typat 1 2 3 4 4 4 4 4 5 5 5 5  
xred              
              0.0000000000E+00  9.6676409262E-01  2.5000000000E-01
              9.0333387142E-02  7.8432314128E-01  2.5000000000E-01
              7.3025422589E-02  1.3533939083E-01  2.5000000000E-01
              1.4813222070E-01  1.2225211910E-01  2.5000000000E-01
              1.9485628558E-01  2.4350167592E-01  2.5000000000E-01
              1.6261311096E-01  3.8229164940E-01  2.5000000000E-01
              8.4976076507E-02  3.9592559651E-01  2.5000000000E-01
              4.0852452778E-02  2.7033082504E-01  2.5000000000E-01
              5.9040593898E-02  5.0560926362E-01  2.5000000000E-01
              1.9795018781E-01  4.8105832937E-01  2.5000000000E-01
              2.5652968255E-01  2.3009169426E-01  2.5000000000E-01
              1.6890816530E-01  1.0086529108E+00  2.5000000000E-01

spgroup 63       
chkprim 0

ecut 20.0   
      
kptopt 1
ngkpt 1 1 2
shiftk 0.0 0.0 0.0

nstep 90          
toldfe 1.0d-6     
diemac 1.0     
diemix 0.5 

END OF THE INPUT FILE

And this is the output point in which it stops:

OUTPUT FILE

 At SCF step   13, etot is converged :
  for the second time, diff in etot=  9.266E-08 < toldfe=  1.000E-06

 Cartesian components of stress tensor (hartree/bohr^3)
  sigma(1 1)=  3.65720097E-04  sigma(3 2)= -1.38904380E-10
  sigma(2 2)=  3.80621182E-04  sigma(3 1)=  0.00000000E+00
  sigma(3 3)=  3.37704677E-04  sigma(2 1)=  0.00000000E+00


======================================================================
 Calculating and writing out Kohn-Sham electronic Structure file  Using 
diagonalized wavefunctions and energies (kssform=1)  number of Gamma centered 
plane waves  32327
 number of Gamma centered shells   8279
 number of bands  30510
 maximum angular momentum components      4
 Diagonalized eigenvalues
   k    eigenvalues [eV]

END OF THE OUTPUT FILE

Do you know anything about this error? Thank you in advavnce,

Dr. Juan Maria Garcia Lastra
ETSF. San Sebastian. Spain.