[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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