[Wien] vec2old_lapw

Jifeng Sun sun at magnet.fsu.edu
Tue Aug 27 23:10:24 CEST 2013


Dear WIEN2K users,

I am using WIEN2K 12.1 and doing GGA+U+SO. After the successful SCF calculation, 
I got "vec2old_lapw: Command not found." when I tried to calculate DOS with parallel 
mode (x lapw2 -p -up -so -qtl). But the calculation can still finish and I am able 
to plot the DOS. When I only did single mode (x lapw2 -up -so -qtl), there was no 
" vec2old_lapw: Command not found" but I got a new error: 

forrtl: severe (24): end-of-file during read, unit 12, file /root/WIEN2k/Ba3Sm2O5Cl2_test/Ba3Sm2O5Cl2_test.normsoup
Image              PC                Routine            Line        Source             
lapw2c             0000000000530B4D  Unknown               Unknown  Unknown
lapw2c             000000000052F655  Unknown               Unknown  Unknown
lapw2c             00000000004D4E00  Unknown               Unknown  Unknown
lapw2c             000000000048E39A  Unknown               Unknown  Unknown
lapw2c             000000000048DB90  Unknown               Unknown  Unknown
lapw2c             00000000004B05FB  Unknown               Unknown  Unknown
lapw2c             00000000004ADE8F  Unknown               Unknown  Unknown
lapw2c             000000000047185F  outp_                     249  outp.f
lapw2c             000000000045DC41  l2main_                  1993  l2main_tmp_.F
lapw2c             000000000046A14C  MAIN__                    564  lapw2_tmp_.F
lapw2c             0000000000403CAC  Unknown               Unknown  Unknown
libc.so.6          00002B9EFF82430D  Unknown               Unknown  Unknown
lapw2c             0000000000403BA9  Unknown               Unknown  Unknown
53.8u 3.9s 1:01.18 94.4% 0+0k 643040+172272io 4pf+0w
error: command   /root/WIEN2K_12/lapw2c uplapw2.def   failed


Is this a big problem? and How to deal with this? Thanks!

Cheers,
Jifeng

--
Jifeng Sun

Graduate Research Assistant
National High Magnetic Field Laboratory
Condensed Matter Science
Chemical & Biomedical Engineering 
FAMU-FSU College of Engineering
Florida State University
sun at magnet.fsu.edu 



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