[Wien] (no subject)

Yushan Wang wys at UDel.Edu
Thu Aug 7 18:47:45 CEST 2003


Dear Useres,
Iam training myselt how to conduct the optic properties calculation. the
following is the procedure I took:
I selecteda simple example: BCC Fe with inversion symmetry.
1: regualr SCF:  run_lapw
2: iniso to creat the Fe. inso file and Fe.in2c file.
3. inso_lapw to edit the Fe.inso and Fe.in2c.
4: to run: run_lapw -so.
5. x kgen to increase the k number.
6. execute: run_lapw -so -s lapw1 -e lcore.
7. x opticc -so
then I got thefollowing sentences:
"Lib-4211 UNRECOVERABLE library error
A WRITE operation tried to write a record that was too long
ENCOUNTER during a sequential formatted write to an internal file."

who can give me a advice?

yushan




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