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I can comment on 1, but not 2.<br>
<br>
Do you have a "telnes3.def" file? I believe the file is generated
by "x telnes3 [-up|dn]" (unless you instead created it manually by
hand for running "telnes3 telnes3.def").<br>
<br>
There may be a small WIEN2k_11.1 bug in
$WIENROOT/SRC_telne3/elnes.f. I think it is supposed to print
"telnes3.def" instead of "��" for the error message. The parts of
the code that seem relevant: <br>
<br>
logical,parameter :: windows=.true.<br>
<br>
if(windows) then<br>
errfn(1:14)='telnes3.error '<br>
deffn(1:12)='telnes3.def ' <font color="#000099"><b>!
"telnes3.def" defined as "deffn"</b></font><br>
else<br>
...<br>
<br>
OPEN (1,FILE=DEFFN,STATUS='OLD',ERR=910) <font color="#000099"><b>!
Jumps to 910 below when it cannot open telnes3.def</b></font><br>
<br>
READ (1,*,END=8001,ERR911) IUNIT,FNAME, STATUS,FORM <font
color="#000099"><b>! "FNAME" seems to be defined here but skipped
by 910 jump</b></font><br>
<br>
! TELNES3.def couldn't be opened<br>
910 WRITE(ERRMSG,9000) FNAME <font color="#000099"><b>! Replace
"FNAME" in this line by "DEFFN"?? </b></font><br>
CALL OUTERR('TELNES3',ERRMSG)<br>
GOTO 999<br>
<br>
On 4/7/2012 6:40 AM, bruce.tian wrote:
<blockquote
cite="mid:CAB6JOWqOaKHwQ2TSwpXZv_-4=ciA3bHudSPfDD8WSTYg5jMM2g@mail.gmail.com"
type="cite">Dear all:<br>
<br>
I have two questions:<br>
<br>
1. When I calculated the ELNES of Ni why I always get the error:
'TELNES3 - can't open definition
file����������������������������������������'. In the whole
calculation there is no other error reported.<br>
<br>
2. In DOS calculation When I include the SO in case.outputtup it
can be found 'EMAX reduced due to lower HIGHEST BAND-minimum<br>
EMIN, DE, EMAX: -0.50000 0.00200 0.45250'. The original EMAX
is set to be 3.5Ry. What is the problem? If I want to expand the
energy range of DOS what shall I do? <br>
<br>
Thanks!<br>
best regards<br>
<br>
<br>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
<br>
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