Dear Wien2k users I am am running mBJGGA calculations for ternary alloy. the super cell is of 8 atoms and doping is 0.75. For 0.25 doping, the mBJGGA calculations (spin is involved) have completed with no error, but for 0.75 doping the following error is appearing.
[msajjad@msajjad SCF75]$ runsp_lapw -cc 0.00001 -in1new 2 -i 100 -NI forrtl: severe (24): end-of-file during read, unit 60, file /home/msajjad/3rdpaper/MgVTe/SCF75/SCF75.inhf Image PC Routine Line Source lapw0 00000000005405AD Unknown Unknown Unknown lapw0 000000000053F0B5 Unknown Unknown Unknown lapw0 00000000004DF760 Unknown Unknown Unknown lapw0 000000000049E7AA Unknown Unknown Unknown lapw0 000000000049DFA0 Unknown Unknown Unknown lapw0 00000000004BDE9C Unknown Unknown Unknown lapw0 0000000000441273 MAIN__ 255 lapw0.F lapw0 0000000000403BAC Unknown Unknown Unknown libc.so.6 00000034BF01ECDD Unknown Unknown Unknown lapw0 0000000000403AA9 Unknown Unknown Unknown > stop error Please help me to overcome this problem. With thanks M. Sajjad
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