[Wien] help

[naincy Pandit]

D*ear Prof. Blaha Sir and Wien2k users,*

i am working with Wien2k_19.1 version with Ubuntu 22.04 i need to get
some suggestions for optical properties of chalcogenide perovskites of
orthorhombic phase.

i have constructed the structural file with space group p_1.

the purpose of my calculation is to get optical parameters.

after doing the scf calculation i started working on optical at w2web
but at the end i got this type of error mentioned below

Commandline: *x kram*
Program input is: *""*

 xx
 yy
 zz
  Energy units:  [eV]
  Lorentzian broadening with gamma:   0.100000000000000       [eV]
        2001  data points
  ENERGY INCREMENT:   1.360999999999990E-002
 losmo1 called to perform KK for Im to Re
 losmo1 called to perform KK for Im to Re
 losmo1 called to perform KK for Im to Re
 sum rule 1: Int(sigma)dw                        NaN                     NaN
                     NaN
 sum rule 2: Int(eloss.w)dw                      NaN                     NaN
                     NaN
 sum rule 3: Int(eloss/w)dw                      NaN                     NaN
                     NaN
 KK with broadening done
0.0u 0.0s 0:00.06 50.0% 0+0k 2120+1192io 17pf+0w

Please give your valuable suggestions. How to get lattice constant
from optimization process.

Thanks & Regards
Naincy Pandit
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