[Pw_forum] rdiaghg error # 122 in Phonon Calculation

Paolo Giannozzi giannozz at nest.sns.it
Tue Jun 13 10:30:47 CEST 2006

On Monday 12 June 2006 20:09, Sigifredo Sanchez-Carrera wrote:

> I am trying to complete a SCF calculation with K_POINTS (gamma) 
> to be able to use the phcg.x tool as reported in example09; but I am 
> getting an error message in my output calculation (using C.pz-vbc.UPF
> and H.vbc.UPF pseudopotentials).

it works for me, both at 20 ry and at 30 ry (both are very low cutoffs 
for norm-conserving C and H, by the way)

Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy

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