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Baijianlu / AICON2

AICON2: A program for calculating transport properties quickly and accurately
GNU General Public License v3.0
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Question about gruneisen.yaml file in example Phonon Si #6

Open RadZhao opened 2 years ago

RadZhao commented 2 years ago

Dear AICON2 developer(s), When we learned to use AICON2 to calculate the lattice thermal conductivity of Si, the gruneisen.yaml file we got was quite different from the one in the Si example. I wonder if you could send me the file (orig, plus, minus folders) you got gruneisen.yaml in the Si example, so that we can check our calculation mistakes.
e-mail: zhaord_xauat@163.com Thanks, Rad

Baijianlu commented 2 years ago

Hi Rad,

Maybe you can send your gruneisen.yaml and band.yaml files to me and I will check.

RadZhao commented 2 years ago

Thanks for your reply. These are my gruneisen.yaml and band.yaml files.

赵睿达

@. | On 3/22/2022 16:21，Tao @.> wrote：

Hi Rad,

Maybe you can send your gruneisen.yaml and band.yaml files to me and I will check.

— Reply to this email directly, view it on GitHub, or unsubscribe. You are receiving this because you authored the thread.Message ID: @.***>

Baijianlu commented 2 years ago

Hi Rad,

Maybe you can send your gruneisen.yaml and band.yaml files to me and I will check.

From: RadZhao @.***> Sent: 18 March 2022 06:06:30 To: Baijianlu/AICON2 Cc: Subscribed Subject: [Baijianlu/AICON2] Question about gruneisen.yaml file in example Phonon Si (Issue #6)

Dear AICON2 developer(s), When we learned to use AICON2 to calculate the lattice thermal conductivity of Si, the gruneisen.yaml file we got was quite different from the one in the Si example. I wonder if you could send me the file (orig, plus, minus folders) you got gruneisen.yaml in the Si example, so that we can check our calculation mistakes. e-mail: @.**@.> Thanks, Rad

— Reply to this email directly, view it on GitHubhttps://github.com/Baijianlu/AICON2/issues/6, or unsubscribehttps://github.com/notifications/unsubscribe-auth/ALVGKXP656RHHOYSS3N7FTLVAPXLNANCNFSM5RAUT4JQ. Triage notifications on the go with GitHub Mobile for iOShttps://apps.apple.com/app/apple-store/id1477376905?ct=notification-email&mt=8&pt=524675 or Androidhttps://play.google.com/store/apps/details?id=com.github.android&referrer=utm_campaign%3Dnotification-email%26utm_medium%3Demail%26utm_source%3Dgithub. You are receiving this because you are subscribed to this thread.Message ID: @.***>