Filename too long during the frequency calculations?.. Is that some compilation error? A very similar structure with a very similar file length completed frequency calculations no problem
Jonas
Multipole analysis of the density
---------------------------------
L x y z total alpha beta nuclear
- - - - ----- ----- ---- -------
0 0 0 0 4.000000 -166.000000 -166.000000 336.000000
1 1 0 0 -0.000501 0.066420 0.066420 -0.133341
1 0 1 0 -0.000847 0.013478 0.013478 -0.027802
1 0 0 1 -0.000651 -0.037736 -0.037736 0.074821
2 2 0 0 -34.257392 -3792.504510 -3792.504510 7550.751627
2 1 1 0 -0.163562 24.866856 24.866856 -49.897275
2 1 0 1 -1.618947 28.324163 28.324163 -58.267272
2 0 2 0 475.040473 -16922.339767 -16922.339767 34319.720006
2 0 1 1 -6.342524 21.839667 21.839667 -50.021859
2 0 0 2 -165.796684 -630.984108 -630.984108 1096.171533
0:0:dai_write_param: filename too long::: 97
(rank:0 hostname:compute-11-288.local pid:29822):ARMCI DASSERT fail. ../../ga-5-1/armci/src/common/armci.c:ARMCI_Error():208 cond:0
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