Dear all:
when I use the pwscf to calculate the HgS crystal,there is a warning
occurring before the 1st iteration as follows:
warning: negative or imaginary core charge -0.000077 0.000000
who can tell me what is the matter, and how can I solve it?
Best Regards!
S. R. Sun
---------------------------------------------
Beijing Synchrotron Radiation Facility
Institute of High Energy Physics
Chinese Academy of Sciences
P. O. Box 918, 100049 Beijing
P. R. China
Tel: 0086+10 88236710
email:sunsr at ihep.ac.cn
