[Wien] Is there any format for putting the plasma frequencies? x kram failing despite running joint with switch 4 after 6.

[Pranjal Nandi]

Dear All,

Version 23.2. Using init_lapw -sp -prec 1

For adding the intraband contributions in the optic package. I am running x joint with switch 6 and then noting the plasma frequency. Then I am again running it with switch 4.

Then I am adding the plasma frequencies xx and zz in the .inkram file like shown below.,

  0.1    Gamma: broadening of interband spectrum
  0.0    energy shift (scissors operator)
  1      add intraband contributions? yes/no: 1/0
2.6968      2.5895  plasma frequencies  (from joint, opt 6)
  0.20   Gammas for Drude terms

However when I run x kram, I am getting the following error.

At line 180 of file kram.f (unit = 5, file = 'nato.inkram')
Fortran runtime error: Bad real number in item 2 of list input

Error termination. Backtrace:
#0  0x132419223960 in ???
#1  0x1324192244d9 in ???
#2  0x13241922510f in ???
#3  0x1324194701b6 in ???
#4  0x1324194715fd in ???
#5  0x1324194722aa in ???
#6  0x132419477b7a in ???
#7  0x59f6ec7117ec in ???
#8  0x59f6ec70d1de in ???
#9  0x132418e29d8f in __libc_start_call_main
                at ../sysdeps/nptl/libc_start_call_main.h:58
#10  0x132418e29e3f in __libc_start_main_impl
                at ../csu/libc-start.c:392
#11  0x59f6ec70d214 in ???
#12  0xffffffffffffffff in ???
xx
zz
  Energy units:  [eV]
  Lorentzian broadening with gamma:   0.10000000000000001       [eV]
         223  data points
  WARNING: Gamma has been redefined to  0.30613000000000001       since your E-grid (case.injoint) was too crude
  ENERGY INCREMENT:   0.30613000000000001
0.074u 0.008s 0:00.08 87.5%   0+0k 0+0io 0pf+0w
error: command   /home/pranjal2/WIEN2K/kram kram.def   failed

I am not sure what I am doing wrong here. Am I putting the plasma frequencies in the correct format?

Really stuck at this issue for almost the entire day. Any help would be highly appreciated.

With warm regards,
Pranjal



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