[Pw_forum] Warning: negative or imaginary starting charge

Aleksandr Tkachenko sanix at operamail.com
Mon Oct 18 00:01:51 CEST 2004

Dear Eyvaz:

 What seems strange to me is that it takes 26 iterations for me to converge al.scf.david input while it takes only 3 iterations in the "reference" case. Another thing is that cu.scf.cg and few other tests from example01 do not converge at all with "too many bands are not converged" error.
 It seems that the initial density is not same in my case. Could it be some 32-64 bit or endian issue in the compilation?

Best Regards,

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