[Pw_forum] cohesive energy calculation of Zn

Emine Kucukbenli kucukben at sissa.it
Thu Nov 11 13:56:25 CET 2010


Dear Kajal
The problem might as well be something else, but take a look:

> /* input file for isolated atom */
...
>  &system
>     ibrav = 4, nat= 1, ntyp= 1,celldm(1) = 5.0338, celldm(3) = 1.85829,

not that isolated perhaps..

emine kucukbenli, phd student, sissa, italy




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