Sir, I calculated bandstructure bu using less number of k point with hf potentials. to calculate other properties I created a new k-mesh by the procedure given in user guide (page No-55), Then run the following command and get error in "hf error" file: *Error in Parallel HF*
run_lapw -hf -newklist -i 1 -p hup: Command not found. LAPW0 END LAPW0 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW2 - FERMI; weights written LAPW2 END LAPW2 END LAPW2 END LAPW2 END SUMPARA END CORE END error in read_cnk: wrong case.vectorhf_old error in read_cnk: wrong case.vectorhf_old error in read_cnk: wrong case.vectorhf_old error in read_cnk: wrong case.vectorhf_old > stop error Kindly guide me.
_______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html