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File structure of the *.frc file
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5
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26
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December 29, 2025
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A huge difference of MgB2 bulk parameters
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9
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88
|
November 10, 2025
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How to enhance the accuracy of the Phonon calculations?
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3
|
90
|
July 12, 2025
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Charge Neutrality Problem
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7
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68
|
June 12, 2025
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Fitting Core Shell Model for Si dope Beta Ga2O3
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4
|
100
|
October 3, 2024
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Fix/freeze region in gulp
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1
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15
|
August 12, 2024
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Multiple KIM installations or cannot find libkim-api.so
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4
|
345
|
July 5, 2024
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Difference in single point energy between GULP and Gromacs
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4
|
319
|
December 7, 2023
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Matrix inversion failed in EEM/QEq
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4
|
359
|
October 5, 2023
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Phonon dispersion curve of SLG
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1
|
272
|
October 5, 2023
|
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Question about the NEB calculation
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1
|
349
|
August 16, 2023
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Gamma point analysis
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3
|
356
|
June 23, 2023
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Arrhenius Graphic
|
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0
|
248
|
April 13, 2023
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Generating .gin file
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2
|
414
|
September 26, 2022
|
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How to calculate ionic conductivity of doped BaZrO3 ceramic
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1
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389
|
September 17, 2022
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How to estimated required memory?
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3
|
617
|
February 9, 2022
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How to get core and shell coordiantes in the relax fit with core shell model?
|
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2
|
594
|
January 5, 2022
|
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OpenKim and GULP 6.0
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1
|
480
|
May 27, 2021
|