[Wien] lapw7

Yundi Quan quanyundi at gmail.com
Tue Jan 15 02:55:16 CET 2013


Hi,
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?

3D RTHO
0 0 0 2
3 0 0 3
0 3 0 3
0 0 3 3
141 141 141 25 25 25
NO
RE    ANG    LARGE
1 0
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