Difference in single point energy between GULP and Gromacs
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4
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150
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December 7, 2023
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Matrix inversion failed in EEM/QEq
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4
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278
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October 5, 2023
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Phonon dispersion curve of SLG
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1
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168
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October 5, 2023
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Question about the NEB calculation
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1
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234
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August 16, 2023
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Gamma point analysis
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3
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223
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June 23, 2023
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Arrhenius Graphic
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0
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200
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April 13, 2023
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Generating .gin file
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2
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335
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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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312
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September 17, 2022
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How to estimated required memory?
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3
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528
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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
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506
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January 5, 2022
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OpenKim and GULP 6.0
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1
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414
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May 27, 2021
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