[Wien] Volume Optimization error

Muhammad Yaseen yaseen1911 at gmail.com
Tue Jul 19 16:49:05 CEST 2011


All user

I am using WIEN2K07. Everything work fine. But, I am getting following error
on volume optimization.
Please help where is the problem.

M Yaseen
PhD Scholar

----------------------------------------------------------------------------------------
Commandline: x optimize -c
Program input is: "1 5 -10 -5 0 5 10 "

 ********************************************
GENERATES STRUCT-FILES AND optimize.job PLEASE CHOOSE ONE OF THE FOLLOWING
FEATURES:

[1]  VARY VOLUME with CONSTANT RATIO A:B:C
[2]  VARY C/A RATIO with CONSTANT VOLUME (tetr and hex lattices)
[3]  VARY C/A RATIO with CONSTANT VOLUME and B/A (orthorh lattice)
[4]  VARY B/A RATIO with CONSTANT VOLUME and C/A (orthorh lattice)
[5]  VARY A and C (2D-case) (tetragonal or hexagonal lattice)
[6]  VARY A, B and C (3D-case) (orthorhombic lattice)
[7]  VARY A, B, C and Gamma (4D-case) (monoclinic lattice)
[8]  VARY C/A RATIO and VOLUME (2D-case) (tetr and hex lattices)

NUMBER OF STRUCTURE CHANGES ?
 PLEASE ENTER VALUE            1 (IN %)  forrtl: severe (59): list-directed
I/O syntax error, unit -4, file stdinImage
PC                   Routine                       Line
Source             optimize           08093C28  Unknown
Unknown  Unknown
optimize           08093720  Unknown               Unknown
Unknownoptimize           08071CD9  Unknown               Unknown
Unknownoptimize           0804E7EC  Unknown               Unknown
Unknownoptimize           0804EC8F  Unknown               Unknown  Unknown
optimize           0805DA47  Unknown               Unknown
Unknownoptimize           0805D28F  Unknown               Unknown
Unknownoptimize           0804AF44  Unknown               Unknown
Unknownoptimize           0804AB09  Unknown               Unknown  Unknown
optimize           0804A21C  Unknown               Unknown
UnknownUnknown            4E16BF2C  Unknown               Unknown
Unknownoptimize           0804A0D1  Unknown

Unknown  Unknown0.004u 0.004s 0:00.03 0.0% 0+0k 0+0io 6pf+0w
error: command   /prog/wien2k/optimize optimize.def   failed
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