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Vibrational Frequency Calculation: Imaginary Frequencies from Optimized Minimum structures (H2O)
by manoj_wijesingha » Mon Jan 30, 2023 7:06 pm - 7 Replies
- 115 Views
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Last post by fabien_tran1
Tue Jan 31, 2023 3:03 pm
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- 2 Replies
- 164 Views
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Last post by martin.schlipf
Thu Jan 26, 2023 8:33 am
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- 2 Replies
- 329 Views
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Last post by Sherif_Yehia1
Mon Jan 23, 2023 3:08 pm
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- 1 Replies
- 1746 Views
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Last post by Kousei
Thu Dec 08, 2022 6:05 am
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- 1 Replies
- 1424 Views
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Last post by jonathan_lahnsteiner2
Mon Nov 07, 2022 3:28 pm
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- 1 Replies
- 866 Views
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Last post by jonathan_lahnsteiner2
Thu Nov 03, 2022 11:40 am
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- 3 Replies
- 1089 Views
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Last post by alex
Wed Nov 02, 2022 10:00 am
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- 3 Replies
- 3769 Views
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Last post by madhu_menon2
Mon Oct 03, 2022 2:24 pm
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Optimization after application of Strain (Uniaxial or biaxial)
by rishikanta_m » Tue Sep 13, 2022 4:23 am - 1 Replies
- 1576 Views
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Last post by SKM
Sat Oct 01, 2022 9:21 am
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do we need to keep WAVECAR/ CHGCAR / CHG files after PBE band computed?
by SKM » Mon Sep 05, 2022 1:34 am - 2 Replies
- 1662 Views
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Last post by SKM
Thu Sep 08, 2022 5:03 pm
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- 1 Replies
- 2314 Views
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Last post by alexey.tal
Fri Aug 12, 2022 3:04 pm
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- 3 Replies
- 2921 Views
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Last post by henrique_miranda
Thu Jul 28, 2022 3:33 pm
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- 1 Replies
- 1909 Views
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Last post by henrique_miranda
Wed Jul 27, 2022 6:03 am
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- 3 Replies
- 2589 Views
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Last post by henrique_miranda
Mon Jul 25, 2022 12:45 pm
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- 2 Replies
- 3113 Views
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Last post by bipin_lamichhane1
Wed Jun 29, 2022 3:16 pm
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- 3 Replies
- 2688 Views
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Last post by weronika_walkosz3
Tue Jun 28, 2022 6:15 pm
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- 5 Replies
- 3372 Views
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Last post by fabien_tran1
Wed Jun 22, 2022 8:24 am
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- 13 Replies
- 6818 Views
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Last post by martin.schlipf
Fri Jun 10, 2022 6:33 am
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- 0 Replies
- 3357 Views
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Last post by hszhao.cn@gmail.com
Fri Apr 01, 2022 7:32 am
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About the non-collinear projected magnetization formula used by vasp.
by hszhao.cn@gmail.com » Fri Apr 01, 2022 7:06 am - 0 Replies
- 2347 Views
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Last post by hszhao.cn@gmail.com
Fri Apr 01, 2022 7:06 am
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