[Pw_forum] relax

[anna.ferrari at unito.it]

hi all!!!

i'm doing a relax cacìlculation
the program stops in this way:




     first order charge density extrapolation
     Check: negative starting charge=   -0.017665

     negative rho (up, down):  0.375E-01 0.000E+00
     first order wave-functions extrapolation
 IOS = 28

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from davcio : error #        12
     i/o error in davcio
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

the error in the diagonalization is connected with  the
negative charge?
what can i do to avoid this error?

thanks again

anna