[Pw_forum] vc-relax calculation did not converge after 100 iterations

[Boateng Isaac Wiafe]

Dear All,
I am performing a vc-relax calculation on a LaFeO3 perovskite system.
The calculation exited after 100 iterations as it did not converge.
Should I increase the electron_maxstep to 1000 or there is something wrong with the configuration I have set.
Please find attached my input file and output file from the calculation.
What could have been wrong or insufficient with my input file?
Thanks
Isaac

 ..
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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