Thank you very much dear Lyudmila. I think your suggestion is correct. But i have a question about clmextrapol_lapw. How can i use this script. Is the below steps correct?
1- First i run the program with lattice parameter 6.08 or 6.98 2- save_lapw -d xxx 3-changing struct file (lattice parameter) 4-runsp_lapw or after step 2 i have to run initial_lapw.
_______________________________________________ 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
