[Wien] Boltztrap -so running indefinitely

[Murugan Sundareswari]

Thanks Gavin for the suggestion.

I tried to run BoltzTraP for Bi2Te3 (provided in tests folder of
BoltzTrap). The same issue as explained earlier happened. So I am attaching
the details in some files.

BoltzTraP.def says:
5,'Bi2Te3.intrans',      'old',    'formatted',0
6,'Bi2Te3.outputtrans',      'unknown',    'formatted',0
20,'Bi2Te3.struct',         'old',    'formatted',0
10,'Bi2Te3.energyso',         'old',    'formatted',0
-1,'Bi2Te3', 'old','formatted',0

Bi2Te3.outputtrans just has one line:
 Bi2Te3
XXXXXXXX

Nothing more....

Please advice.


On Sat, Feb 7, 2015 at 12:24 AM, Gavin Abo <gsabo at crimson.ua.edu> wrote:

> Probably, there is not enough information given to help.  If you provide
> the contents of the case.outputtrans, then maybe someone can help as it
> might give us clues like tell us what inputs are being used and in which
> step in the calculation that it might be stuck.
>
>
> On 2/6/2015 10:18 AM, Murugan Sundareswari wrote:
>
>> Dear All,
>>
>> We were working on BoltzTrap. We were able to get the output file in less
>> than 2-3 mins. However, when I run BotzTrap -so, we do not get errors but
>> it seems to be running indefinitely.
>>
>> What did we observe.
>>
>> 1. Output trans file is created. There are values in the file
>> 2. Even after an hour or two BoltzTrap -so does not end its execution
>> 3. We either stop execution or close the terminal.
>>
>> Could some one help me understand the issue?
>> Am I missing something?
>>
>> Regards
>> Sundareswari
>>
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