Errata: Re: [CPMD-list] P(111) - O Questions

[Oleg Yazyev]

Sorry, in system.h
...

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Dear Eduardo,

You can increase parameter NHX in setsys.h and recompile the code. It
may help. In this case you can go to GAUSS-HERMIT=30 (this must give
you 16 special points) or higher.




______________________________________________________
Oleg Yazyev
Ecole Polytechnique Fédérale de Lausanne (EPFL)
Institut des Sciences et Ingénierie Chimiques
CH-1015 Lausanne (Switzerland)
Tel.: +41 21 693 9881
E-mail: oleg.yazyev at epfl.ch
WWW: http://icmbcu001.epfl.ch/yazyev/index.html
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