[Wien] Error in LAPW2

[Sri Muralikrishna Molli, Physics, SSSIHL]

Dear All

We are getting the following error when we are doing SCF calculations for
large molecules but for smaller compounds it is fine.

 Error in LAPW2

 'LAPW2' - can't open unit:
10

 'LAPW2' -        filename:
/case.vector

 'LAPW2' -          status: unknown      form:
unformatted



case.vector file is getting stored in the directory where my Cases are
present, and it is stored in binary format.

Ideally, I think it should be stored in case directory itself.

I tried the suggestions given in the mailing list. But I could not succeed.

Can somebody help me in this?

bashrc file looks like this:

# added by WIEN2k: BEGIN

# --------------------------------------------------------

alias lsi="ls -aslp *.in*"

alias lso="ls -aslp *.ou*"

alias lsd="ls -aslp *.def"

alias lsc="ls -aslp *.cl*"

alias lss="ls -aslp *.sc*"

alias lse="ls -aslp *.error"

alias pslapw="ps -ef |grep "lapw""

alias cdw="cd /home/mmk/WIEN2k/lapw"

export OMP_NUM_THREADS=1

#export LD_LIBRARY_PATH=.....

export EDITOR="emacs"

export SCRATCH=/home/mmk/WIEN2k/lapw

export WIENROOT=/home/mmk/wein2k

export W2WEB_CASE_BASEDIR=/home/mmk/WIEN2k/lapw

export STRUCTEDIT_PATH=$WIENROOT/SRC_structeditor/bin

export PDFREADER=acroread

export PATH=$PATH:$WIENROOT:$STRUCTEDIT_PATH:.

export OCTAVE_EXEC_PATH=${PATH}::

export OCTAVE_PATH=${STRUCTEDIT_PATH}::



export PATH=$PATH:$WIENROOT:.

ulimit -s unlimited

alias octave="octave -p $OCTAVE_PATH"

# --------------------------------------------------------

Thanking You

Sincerely yours

-- 
Muralikrishna M
Assistant Professor
Department of Physics
Sri Sathya Sai Institute of Higher Learning
Prasanthinilayam
India
PIN 515134
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