[Wien] error in GGA+U calculation for 2D structure
vishal jain
vjain045 at gmail.com
Wed Jun 17 06:24:31 CEST 2015
Dear All,
i found error during GGA+U Calculation for 2D structure of
Co2CrAl/GaAs.Struct, orb and indmc files attached here. What is the needed
procedure for GGA +U calculation for 2D structure? is same as bulk.
> stop error
lapw1c 0000000000403F79 Unknown Unknown Unknown
libc.so.6 00002B1CF5544EC5 Unknown Unknown Unknown
lapw1c 000000000040406E Unknown Unknown Unknown
lapw1c 00000000004421C0 MAIN__ 42 lapw1_tmp_.F
lapw1c 00000000004418B1 inilpw_ 280 inilpw.f
lapw1c 00000000004B1194 Unknown Unknown Unknown
lapw1c 00000000004B2F91 Unknown Unknown Unknown
lapw1c 0000000000484A73 Unknown Unknown Unknown
Image PC Routine Line
Source
forrtl: severe (59): list-directed I/O syntax error, unit 7, file
/home/vishal/WIEN2k/Co2CrAlGaAs111LDAU/Co2CrAlGaAs111LDAU.vorbup
ORB END
ORB END
LAPW0 END
hup: Command not found.
in cycle 2 ETEST: 0 CTEST: 0
MIXER END
CORE END
CORE END
LAPWDM END
LAPWDM END
LAPW2 END
LAPW2 END
LAPW1 END
LAPW1 END
LAPW0 END
hup: Command not found.
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