[Wien] Error in DOS. MBJ(GGA)

Jose Alfredo Camargo Martinez sork8686 at yahoo.es
Sat Sep 10 01:09:30 CEST 2011



 Using MBJ the potential (with  optimized parameters lattice obtained from GGA), I want  calculate DOS for GaAs, but at to run x lapw2-qtl-c, I get the following error.


Commandline: x lapw2 -qtl  -c


forrtl: severe (64): input conversion error, unit 1001, file /home/maligno/WIEN2K_11/scratch/GaAs_MBJGGA.help031
Image              PC                Routine            Line        Source             
lapw2c             000000000053B38A  Unknown               Unknown  Unknown
lapw2c             0000000000539F05  Unknown               Unknown  Unknown
lapw2c             00000000004DE5E6  Unknown               Unknown  Unknown
lapw2c             000000000049B566  Unknown               Unknown  Unknown
lapw2c             000000000049ACD9  Unknown               Unknown  Unknown
lapw2c             00000000004BCD79  Unknown               Unknown  Unknown
lapw2c             00000000004798F5  outp_                     184  outp.f
lapw2c             000000000046AFD6  l2main_                  1973  l2main_tmp_.F
lapw2c             0000000000473E6C  MAIN__                    564  lapw2_tmp_.F
lapw2c             0000000000403C7C  Unknown               Unknown  Unknown
libc.so.6          00002B74A6B00EFF  Unknown               Unknown  Unknown
lapw2c             0000000000403B79  Unknown               Unknown  Unknown
1.9u 0.5s 0:02.65 95.8% 0+0k 22712+15192io 0pf+0w
error: command   /home/maligno/WIEN2K_11/lapw2c lapw2.def   failed

Using the optimized parameter lattice obtained from LDA, do not see this error.

Someone can help me! 

 
José A. Camargo Martínez
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