[Wien] lapw1 stops without error
Yushan Wang
wys at UDel.Edu
Thu Mar 10 03:25:46 CET 2005
Dear users
the lapw1 stops without any error. the folowing is the bottom of the
.output1.
..................................................................
LATTICE CONSTANTS ARE: 7.15262 35.76308 17.97886
K= 0 0 0 IND= 1
1. WAVE= 0 0 0 TAUP= 1.00000 0.00000
WARPING= -0.03304
0.00000
K= 0 -1 0 IND= 2
1. WAVE= 0 -1 0 TAUP= 1.00000 0.00000
WARPING= -0.06507
0.00000
2. WAVE= 0 1 0 TAUP= 1.00000 0.00000
WARPING= -0.06507
0.00000
K= 0 0 -1 IND= 2
1. WAVE= 0 0 -1 TAUP= 1.00000 0.00000
WARPING= -0.03471
0.00000
2. WAVE= 0 0 1 TAUP= 1.00000 0.00000
WARPING= -0.03471
0.00000
K= 0 -2 0 IND= 2
1. WAVE= 0 -2 0 TAUP= 1.00000 0.00000
WARPING= 0.05749
0.00000
2. WAVE= 0 2 0 TAUP= 1.00000 0.00000
WARPING= 0.05749
0.00000
K= 0 -1 -1 IND= 4
1. WAVE= 0 -1 -1 TAUP= 1.00000 0.00000
WARPING= 0.03306
0.00000
2. WAVE= 0 1 -1 TAUP= 1.00000 0.00000
WARPING= 0.03306
0.00000
3. WAVE= 0 -1 1 TAUP= 1.00000 0.00000
WARPING= 0.03306
0.00000
4. WAVE= 0 1 1 TAUP= 1.00000 0.00000
WARPING= 0.03306
0.00000
K= 0 -2 -1 IND= 4
1. WAVE= 0 -2 -1 TAUP= 1.00000 0.00000
WARPING= -0.02853
0.00000
2. WAVE= 0 2 -1 TAUP= 1.00000 0.00000
WARPING= -0.02853
0.00000
3. WAVE= 0 -2 1 TAUP= 1.00000 0.00000
WARPING= -0.02853
0.00000
4. WAVE= 0 2 1 TAUP= 1.00000 0.00000
WARPING= -0.02853
0.00000
K= 0 -3 0 IND= 2
1. WAVE= 0 -3 0 TAUP= 1.00000 0.00000
WARPING= -0.04693
0.00000
2. WAVE= 0 3 0 TAUP= 1.00000 0.00000
WARPING= -0.04693
0.00000
K= 0 -3 -1 IND= 4
1. WAVE= 0 -3 -1 TAUP= 1.00000 0.00000
WARPING= 0.02223
0.00000
2. WAVE= 0 3 -1 TAUP= 1.00000 0.00000
WARPING= 0.02223
0.00000
3. WAVE= 0 -3 1 TAUP= 1.00000 0.00000
WARPING= 0.02223
0.00000
4. WAVE= 0 3 1 TAUP= 1.00000 0.00000
WARPING= 0.02223
0.00000
K= 0 0 -2 IND= 2
........................................................................
your advice would be highly appreciatd
yushan
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