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<div class="moz-cite-prefix">The Wien2k userguide for case.in7(c)
has "format(A3,1X,A3,1X,A5)" for the "switch iunit whpsi" line.<br>
<br>
If you have<br>
<br>
ABS ANG LARGE<br>
<br>
The first A3 reads ABS (three places). The second format input 1X
reads the one blank space (one place) between ABS and ANG.<br>
<br>
For<br>
<br>
RE ANG LARGE<br>
<br>
The A3 needs to read RE (two places) plus a space (one place)
[<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2008-September/011475.html">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2008-September/011475.html</a>].<br>
<br>
So check and make sure that there are exactly two blank spaces
between RE and ANG.<br>
<br>
On 1/14/2013 6:55 PM, Yundi Quan wrote:<br>
</div>
<blockquote
cite="mid:CALsd9rieKxSZAxbELw72gPm6aEy=Ep-gs7iucf63K=saYfN2Fg@mail.gmail.com"
type="cite">Hi,
<div>I used the following input file for lapw7. But I got an error
message saying 'ERROR: UNKNOWN UNITS OPTION'. In the userguide,
units can be ANG, AU or ATU. I tried all of them. But none of
them worked. Can anyone offer me any suggestions?</div>
<div><br>
</div>
<div>
<div>3D RTHO</div>
<div>0 0 0 2</div>
<div>3 0 0 3</div>
<div>0 3 0 3</div>
<div>0 0 3 3</div>
<div>141 141 141 25 25 25</div>
<div>NO</div>
<div>RE ANG LARGE</div>
<div>1 0</div>
</div>
<br>
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<br>
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