Dear Dr. Blaha and Wien2k users, When running x xspec, I get the error shown below. It looks like there is an infinite loop from lines 170 to 180 in txspec.f that causes an array index to go out of the upper bound, but I don't have much Fortran experience. Should there be a condition (IEMAX?) and break or jump statement to get out of the "1 CONTINUE" and "goto 1" loop from line 170 and 180?
forrt1: severe (408): fort: (2): Subscript #1 of the array ENE has value 771 which is greater than the upper bound 770 Image PC Routine Line Source ... txspec 0000000000423085 MAIN__ 176 txspec.f ... > stop error txspec xspec.def ... *Lines from file txspec.f in SRC_txspec.f* Line 170: I=0 1 CONTINUE i=i+1 IF (LC.EQ.0) then READ(32,4713,END=2,ERR=913) ENE(i),DOS(i,1),DOS(i,3) ELSE READ(32,4713,END=2,ERR=913) ENE(i),DOS(i,1),DOS(i,2),DOS(i,3) ENDIF goto 1 2 CONTINUE :Line 180 Thanks, Gavin -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110906/150f4cc8/attachment.htm>