Dear Wien2k users, We have run one SCF cycle for a system having primitive space group and 14 in equivalent atoms. We have used a command runsp_c_lapw -dm -orb -ec 0.0001 -cc 0.0001 -fc 1.0 in the terminal. It stopped after 3 iterations showing
*(standard_in ) 1 : parse error* * (standard_in) 1 : parse error* * if : Expression Syntax.* in the terminal. There was no error file generated. Any help in this regard will be very helpful for us. Thanks in advance. with regards, -- Shamik Chakrabarti Research Scholar Dept. of Physics & Meteorology Material Processing & Solid State Ionics Lab IIT Kharagpur Kharagpur 721302 INDIA -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100609/3c9304f3/attachment.htm>