This forum doesnt like the hyphen so i only have a few lines of the out put using grep d= command. The hyphen(negative sign) is replaced by an underscore in my results. Hope this is sufficient.
Singularity in Pulay matrix. Error and Fock matrices removed.
Singularity in Pulay matrix. Error and Fock matrices removed.
Singularity in Pulay matrix. Error and Fock matrices removed.
Singularity in Pulay matrix. Error and Fock matrices removed.
Singularity in Pulay matrix. Error and Fock matrices removed.
Singularity in Pulay matrix. Error and Fock matrices removed.
Singularity in Pulay matrix. Error and Fock matrices removed.
Singularity in Pulay matrix. Error and Fock matrices removed.
d= 0,ls=0.5,diis 230 _3262.1617259768 1.25D+03 4.75D_05 1.62D+09 13670.6
1.07D_05 1.57D+09
d= 0,ls=0.5,diis 231 _5329.8234964745 _2.07D+03 4.40D_05 4.01D+09 13728.2
4.38D_06 3.75D+09
d= 0,ls=0.5,diis 232 13863.7956885399 1.92D+04 4.23D_05 8.31D+10 13902.9
2.98D-06 7.44D+10
d= 0,ls=0.5,diis 233 16109.9576050395 2.25D+03 3.70D_05 1.13D+11 14171.3
4.15D_06 1.01D+11
6
>End of File
int2e_buf_read:asynch IO failed 10658
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This error has not yet been assigned to a category
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