Dear, I got following error in SIESTA:
ERROR expected valence charge for species K ERROR and the value read from the vps file ERROR differ: Zval(expected)= 5.950 Zval(vps)= 1.000 Stopping Program from Node: 0 It seems to be caused by the Zval values difference in psf file and expected by programme. Is it not Zval should be 1 for K? How can I fix it? Ps: the K.psf file aws download from web of SIESTA Regards -- Liang WANG Center for Nanofabrication and System Integration Chongqing Institute of Green and Intelligent Technology, Chinese Academy of Science 266 Fangzheng Ave, ShuiTu technology development zone, Beibei District, Chongqing, P. R. China Tel: +86-23-65935570
