[Pw_forum] error in phonon frequency calculation

[Boateng Isaac Wiafe]

Dear All,
Please I am trying to calculate for the vibrational frequency of molecular hydrogen which is being used for adsorption studies on LaFeO3 surface.
The phonon calculation however exists when it begins with the self-consistent calculation.
Please, from the attached input and output files can anyone suggest to me what's wrong and how to overcome this challenge. Thanks



..
Isaac Wiafe Boateng |Graduate Student 
Department of Chemistry, Theoretical and Computational Chem. Lab
KNUST, Kumasi - Ghana
+233 (0) 275 632712
Alt. e-mail: boatengisaacwiafe at gmail.com
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