[Pw_forum] Error #17 in Convergence test of MoS2

[Paolo Giannozzi]

On Jul 9, 2012, at 16:10 , Sohail Ahmad wrote:

>       reading namelist system

this is the error. Check whether $i assumes a proper value here:

>  &system
>     ibrav = 4, celldm(1) = 3.16, celldm(3) = 3.89, nat=  6, ntyp= 2,
>     ecutwfc = $i,
>     ecutrho = 500,
>     nbnd = 10,
>     occupations='smearing', smearing=' gaussian', degauss=0.001,
>     nspin=2,
>     starting_magnetization(1)=0.5d0,
> /

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222