[Wien] ciftbx error: test.cif data_Wien2k_Data line : 22 (New Version of Wien2k)

[Ghosh SUDDHASATTWA]

Dear Wien2k users, 

As suggested by Laurence Marks that the new version of Wien2k has a new way
to find out R0 for heavy elements, so the following commands are to be used
before the job is initialized. 

[sghosh at hn1 AB2_random] x struct2cif 

[sghosh at hn1 AB2_random] cif2struct AB2_random.cif

 

However, the first command works well, the second command gives the
following error

 

ciftbx error: AB2_random.cif data_Wien2k_Data line:     22

Illegal tag/value construction

 

The cif file generated is ok, but I am not sure why the error is coming. 

Any suggestions would be helpful 

 

Suddhasattwa 

 

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