I am doing the initialization, and got this problem
The problem starts here:
LSTART ENDS 0.408u 0.000s 0:25.84 1.5% 0+0k 8+5248io 0pf+0w ERROR !!! nstop,iter,tets,test 28 1 9.999999939225290E-009 nstop,iter,tets,test 28 1 9.999999939225290E-009 You have to change your atomic configuration in Y10Si6O22N2O2.inst
Very likely you have an old case.inst lingering around that is not compatible any longer with your case.struct. Remove case.inst, and run init_lapw again.
Stefaan _______________________________________________ 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
