[Wien] problems on optic and joint program

nilton@ufba.br nilton at ufba.br
Wed Aug 30 21:22:11 CEST 2006


Dear wien's users,

I am trying calculate dielectric function on crystal SbI3. After run optic I try
run joint but, it crashed and return an enigmatic error message like this:

nilton at c11:~/lapw/sbi3/diel_func.5_3.0/sbi3\=> x joint


** Address Error **


End of diagnostics

0.700u 0.070s 0:02.45 31.4%     0+0k 0+0io 101pf+0w
error: command   /opt/wien2k6/joint joint.def   failed

Sometimes the message is:

nilton at c11:~/lapw/sbi3/diel_func.100-2.0/sbi3\=> x joint
FORTRAN STOP  something wrong in unit 3
4.430u 0.330s 0:04.78 99.5%     0+0k 0+0io 102pf+0w
nilton at c11:~/lapw/sbi3/diel_func.100-2.0/sbi3\=>

My system is P4 3.2 GH, RAM = 2G, Slack, kernel 2.4.26, glib 2.2.5. I use ifc
7.1 with mkl 7.1 and wienk2k6.

This crystal have 396 eletrons and the unit cell have 24 atoms and 6
inequivalent atoms.

Somebody already have any problem like this?

With other crystals I have no problem but those are small crystals, with less
atoms in unit cell...so in this system the problem seems are related with size
of the  case.symmat file wich became very large.

thanks previously,

Nilton



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