[Wien] lapw2 crashed

Shaorui Sun sunsr at ihep.ac.cn
Sun Oct 10 05:49:22 CEST 2004


     Dear all:
            when I compute the Cu (111) surface I met another problem. the lapw2 crashed after sevsral scf iterations.
     the detail information is as follows:
         FORTRAN STOP LAPW2 - FERMI; weighs written


      Input/Output Error 148: Invalid character

      In Procedure: outp
        At Line: 181

      Statement: Formatted READ
           Unit: 1010
   Connected To: ./Cu.help_1040
           Form: Formatted
         Access: Sequential
    Records Read   : 476
    Records Written: 0

   Current I/O Buffer:

    L= 2   78.89084  **********  7846.979******************** -7206.080
                   !


   End of diagnostics
     Who could tell me what is the matter?
                                                                S. R. Sun



   




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