[Wien] (no subject)

[Carrier, Pierre]

Hello Yushan,

It looks like you have too many columns for "<case>.outmat". Try first to
write only 2 columns (see third line in <case>.inop) with for instance
Re<x><x> (flag 1) and Re<z><z> (flag 3). Then choose the flags you need for
your system

Other option:
The maximum number of columns allowed is 9 - see /SRC_optics/outmat.f, and
look for the format 9030 at the very end of this file. If you absolutely
need more columns, change the format "9E13.6" to the higher number of
columns you need and recompile optics.

Cheers,
Pierre
-----Original Message-----
From: Yushan Wang [mailto:wys at UDel.Edu]
Sent: Thursday, August 07, 2003 10:48 AM
To: WIEN
Subject: [Wien] (no subject)



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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