Dear all How to take good values of london_s6 and london_rcut for bulk Iridium (total atoms:72). Similarly, how to determine landon_s6 and london_rcut values for Iridium using any mathematical formula instead of taking default values from the QE keywords list. Any suggestions are valuable to me. I am anticipatively thanks.
venkataramana PhD student, IIT Bombay Mumbai
_______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
