[Pw_forum] error 1

Sakhrawi Taoufek tsakhrawi at yahoo.com
Tue Sep 11 10:06:42 CEST 2012

Dr. Gianozzi
i am new in pwscf calculations:
wen calculating lattice the code stops!!!!!

     Program PWSCF v.4.2        starts on 10Sep2012 at 14:52:45

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please acknowledge
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details at

     Current dimensions of program PWSCF are:
     Max number of different atomic species (ntypx) = 10
     Max number of k-points (npk) =  40000
     Max angular momentum in pseudopotentials (lmaxx) =  3
     Waiting for input...

     from  iosys  : error #         1
      invalid lattice parameters ( celldm or a )

     stopping ...
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