[Pw_forum] reading_namelist error #19

Nicola Marzari nicola.marzari at epfl.ch
Wed Aug 8 16:27:42 CEST 2012


On 08/08/2012 16:18, Elie M wrote:
> Hello all,
>
>   &system
>      ibrav= 0, celldm(1)= 9.008277, nat=8, ntyp= 2, ecutwfc =32,
> ecutrho=288,occupations='smearing', smearing='mv',degauss=0.02


your unit cell is not well defined -  ibrav 0 requires cell_parameters

http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html#id1486403



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Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL



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