Dear Wien2k Users Can you please pull me out of this error? Many times it is appearing while performing Optimization calculations. The wien2k version is 12 and installed on fedora 17 64 bit. Lattice constant I used is 4.397 and it is ternary alloy with 25 % doping of a TM. The error message is
ERROR status in optrnew438_vol_-25.0 > stop error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error FERMI - Error LAPW1 END LAPW1 END LAPW0 END in cycle 8 ETEST: .1255452000000000 CTEST: .0760248 MIXER END CORE END True Regards M. Sajjad
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