<div dir="ltr"><div><div>Dear All,<br><br></div>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.<br><br><pre>>   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.<br><br></pre><pre><br></pre></div></div>