Boltztrap.hdf5

[Arslanzulfqar5]

can you tell me how to get this file. i have calculated interpolation.bt2 using boltztrap2 but unable to get this file

[kbspooner]

Hi Arslan,

This file can be generated from BoltzTraP1, although that's quite old now and I really should add an interface for BoltzTraP2. Unfortunately I haven't yet.

Sorry,
Kieran

[Arslanzulfqar5]

i am very greatful for your reply. i have calcaulated everything including kappa.hdfy. can you please share me a short tutorial or any method that can help me to create this file. i will be very thankful to you.

[kbspooner]

Hi Arslan,

Sorry its been a while but I've finally included BoltzTraP2 integration. If you're still interested, you can install the latest version of ThermoParser and run tp run boltztrap2 at the command line or tp.data.run.boltztrap2 using Python to generate a hdf5 file which can be read as usual by the rest of the command line functions (tp plot transport etc.), or using tp.data.load.boltztrap2 in Python. Seeing as you've already got the .bt2 file you can disable regenerating it using the interpolate=False option in the run commands.

Please check your data carefully! I've tested it but may well have missed some bugs and no-one else has used it yet! If you do encounter anything let me know and I promise I'll be more responsive fixing it now.

Best wishes,
Kieran

[Arslanzulfqar5]

It is great news for me. I am very thankful to you for your kind reply. I will definately test it as soon as possible.

…

On Fri, 9 May 2025 at 17:26, Kieran B. Spooner ***@***.***> wrote: Hi Arslan, Sorry its been a while but I've finally included BoltzTraP2 integration. If you're still interested, you can install the latest version of ThermoParser and run tp run boltztrap2 at the command line or tp.data.run.boltztrap2 using Python to generate a hdf5 file which can be read as usual by the rest of the command line functions (tp plot transport etc.), or using tp.data.load.boltztrap2 in Python. Seeing as you've already got the .bt2 file you can disable regenerating it using the interpolate=False option in the run commands. Please check your data carefully! I've tested it but may well have missed some bugs and no-one else has used it yet! If you do encounter anything let me know and I promise I'll be more responsive fixing it now. Best wishes, Kieran — Reply to this email directly, view it on GitHub <#108 (reply in thread)>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/BBMSNP63LSLE6GOW3UAAKET25RYDDAVCNFSM6AAAAABW3RJUOKVHI2DSMVQWIX3LMV43URDJONRXK43TNFXW4Q3PNVWWK3TUHMYTGMBYGY3TEMY> . You are receiving this because you authored the thread.Message ID: ***@***.***>

[Arslanzulfqar5]

Dear Kieran B. Spooner, I hope you are fine. I have tried the code and have plotted some figures, which I have attached in the mail. Your code is fantastic and will help me a lot to generate amazing plots. I will master it soon. Regards, Arslan Zulfiqar On Fri, 9 May 2025 at 18:00, Arslan Zulfqar ***@***.***> wrote:

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It is great news for me. I am very thankful to you for your kind reply. I will definately test it as soon as possible. On Fri, 9 May 2025 at 17:26, Kieran B. Spooner ***@***.***> wrote: > Hi Arslan, > > Sorry its been a while but I've finally included BoltzTraP2 integration. > If you're still interested, you can install the latest version of > ThermoParser and run tp run boltztrap2 at the command line or > tp.data.run.boltztrap2 using Python to generate a hdf5 file which can be > read as usual by the rest of the command line functions (tp plot > transport etc.), or using tp.data.load.boltztrap2 in Python. Seeing as > you've already got the .bt2 file you can disable regenerating it using the > interpolate=False option in the run commands. > > Please check your data carefully! I've tested it but may well have missed > some bugs and no-one else has used it yet! If you do encounter anything let > me know and I promise I'll be more responsive fixing it now. > > Best wishes, > Kieran > > — > Reply to this email directly, view it on GitHub > <#108 (reply in thread)>, > or unsubscribe > <https://github.com/notifications/unsubscribe-auth/BBMSNP63LSLE6GOW3UAAKET25RYDDAVCNFSM6AAAAABW3RJUOKVHI2DSMVQWIX3LMV43URDJONRXK43TNFXW4Q3PNVWWK3TUHMYTGMBYGY3TEMY> > . > You are receiving this because you authored the thread.Message ID: > ***@***.*** > com> >