[Wien] Kram for intraband transitions

[Kamil Klier ( Faculty/Staff - Professor Emeritus )]

Thank you for these links - I missed them in the search through the 
mailing list.

The program kram with option 1 works fine, upon editing *.inkram for 
plasma frequencies read from *.outputjoint (not *.joint) generated by 
program joint with switch 6, then re-running joint with switch 4 and 
kram with option 1.

On 2014-11-25 22:29, Gavin Abo wrote:
> See the following posts:
> 
> http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg07876.html
> http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg01102.html
> 
> On 11/25/2014 8:10 PM, Kamil Klier ( Faculty/Staff - Professor Emeritus 
> ) wrote:
>> Dear Colleagues,
>> 
>> In the attempt to calculate intra-band transitions, e.g. using switch 
>> 6 in *.injoint and option 1 in *.inkram, [Wien2k-14.2, Cu metal with 
>> TETRA 101.000], crashes occur in the kram program of the optic 
>> sequence, as:
>> 
>> ------------------------------------------------------------------------------------ 
>>  OPTIC END
>> JOINT DOS END
>> forrtl: severe (64): input conversion error, unit 10, file 
>> /work/kklier/Cu-opt-nosp/Cu-opt-nosp.joint
>> Image              PC                Routine Line        Source
>> kram               0000000000486E6D  Unknown Unknown  Unknown
>> kram               0000000000485975  Unknown Unknown  Unknown
>> kram               000000000043F090  Unknown Unknown  Unknown
>> kram               000000000040B1BA  Unknown Unknown  Unknown
>> kram               000000000040A9B0  Unknown Unknown  Unknown
>> kram               0000000000421356  Unknown Unknown  Unknown
>> kram               0000000000403423  MAIN__ 83  kram.f
>> kram               0000000000402E6C  Unknown Unknown  Unknown
>> libc.so.6          0000003221C1D9C4  Unknown Unknown  Unknown
>> kram               0000000000402D79  Unknown Unknown  Unknown
>> ------------------------------------------------------------------------------------ 
>> The kram program reads input from the file *.joint generated by 
>> preceding program joint, cf. line 83 of kram.f.  However, the 1st line 
>> in the *.joint file (generated using switch 6) is missing. This does 
>> not happen when switch 4 is used in *.injoint.
>> 
>> When the file *.joint, generated with switch 6 in *.injoint, is edited 
>> by hand by inserting the 1st line, kram does produce the intra-band 
>> absorption.
>> 
>> Is there a bug in the sequence x optic / x joint / x kram with switch 
>> 6, or can you advise for another user's remedy?
>> 
>> Kamil Klier
>> Lehigh University
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html