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Dear Wien2k users,
<br />
<br />I am calculating optical properties of a perovskite compound. I am facing the following problem.
<br />I have done all the steps mentioned in ug manual for optic calculations.
<br />When I am running the command x joint -up with the "switch" choice 1 in case.injoint file
<br />to get joint DOS as sum over all band combinations, it running perfectly. But when I am
<br />using switch =6 to get intraband contributions, program fails.
<br />The error it is showing is
<br />forrtl: severe (64): input conversion error, unit 9, file case.mat_diagup.
<br />
<br />I am confused why only changing the switch value creates this input conversion error.
<br />Please suggest me to get rid off this problem.
<br />
<br />Thanks in advance.
<br />
<br />Regards,
<br />
<br />soumyajit
<br />
<br />
----------------------------------------------------------------
<br />
Soumyajit
Sarkar
<br />
Junior Research
Fellow
<br />
Material Science
Department
<br />
S N Bose National Centre for Basic
Sciences
<br />
Block-JD,Sector-III,Salt
Lake
<br />
Kolkata
-700098
<br />
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