[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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