[Wien] Error in mBJGGA
Muhammad Sajjad
sajjadpu at gmail.com
Tue Sep 3 09:09:27 CEST 2013
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 at 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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