[Wien] LM=10

[tran at theochem.tuwien.ac.at]

There is one blank too much before the "10" and "-10". In the code, the
reading is done with the format (I3,I2), so it should be:

   0 0  4 0 ... 9 9 -9 9 10 0 10 1-10 1 10 2-10 2 ... 1010-1010

F. Tran

On Fri, 16 Oct 2015, Bruno Landeros wrote:

> Dear All:
> I have modified the mycase.in2 file in order to have an LM exapansion up to 10. I have already done this with LM=8 and LM=9 and had not trouble. But when using LM=10 I get the next messager after running dstart:
> 
> forrtl:  severe (65) :  input conversion error, unit 15, file /home/bruno/WIEN2K/hpn_final.in2
> Image              PC                Routine            Line        Source      
> dstart             000000000053F87E  Unknown               Unknown  Unknown
> dstart             000000000053E316  Unknown               Unknown  Unknown
> dstart             000000000046FB62  Unknown               Unknown  Unknown
> dstart             000000000043762C  Unknown               Unknown  Unknown
> dstart             0000000000436B4C  Unknown               Unknown  Unknown
> dstart             000000000044E6CD  Unknown               Unknown  Unknown
> dstart             000000000044BF98  Unknown               Unknown  Unknown
> dstart             0000000000414910  init_                     113  init.F
> dstart             00000000004136A9  MAIN__                     15  dstart.F
> dstart             000000000040861C  Unknown               Unknown  Unknown
> libc.so.6          00002AB969C7B76D  Unknown               Unknown  Unknown
> dstart             0000000000408519  Unknown               Unknown  Unknown
> 0.0u 0.0s 0:00.00 0.0% 0+0k 0+16io 0pf+0w
> error: command   /scratch/progs/Wien2k/dstart dstart.def   failed
> 
> 
> My in2 file looks like this:
> 
> FOR             (FOR,FOR,QTL,EFG,FERMI)
>   -12.00  280.00   0.50 0.05  1   EMIN, NE, ESEPERMIN, ESEPER0, iqtlsave
> TETRA    0.000      (GAUSS,ROOT,TEMP,TETRA,ALL      eval)
>   0 0  1 0  1 1 -1 1  2 0  2 1 -2 1  2 2 -2 2  3 0  3 1 -3 1  3 2 -3 2  3 3 -3 3  4 0  4 1 -4 1  4 2 -4 2  4 3 -4 3  4 4 -4 4  5 0  5 1 -5 1  5 2 -5 2  5 3 -5 3  5 4 -5 4  5 5 -5 5  6 0  6 1 -6 1  6 2 -6 2  6 3 -6 3  6 4 -6 4  6 5 -6 5  6 6 -6 6  7 0  7 1 -7 1
>  7 2 -7 2  7 3 -7 3  7 4 -7 4  7 5 -7 5  7 6 -7 6  7 7 -7 7  8 0  8 1 -8 1  8 2 -8 2  8 3 -8 3  8 4 -8 4  8 5 -8 5  8 6 -8 6  8 7 -8 7  8 8 -8 8  9 0  9 1 -9 1  9 2 -9 2  9 3 -9 3  9 4 -9 4  9 5 -9 5  9 6 -9 6  9 7 -9 7  9 8 -9 8  9 9 -9 9  10 0  10 1 -10 1
>  10 2 -10 2  10 3 -10 3  10 4 -10 4  10 5 -10 5  10 6 -10 6  10 7 -10 7  10 8 -10 8  10 9 -10 9  10 10 -10 10 
> .
> .
> .
>  21.00          GMAX
> NOFILE        FILE/NOFILE  write recprlist
> 
> Do anyone has any idea of what could be wrong?
> 
> Greetings, 
> 
> Bruno Landeros
> 
>