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FDE with periodic boundary conditions
Started by rinatn |
1 Replies
3675 Views |
April 11, 2025, 06:05:08 PMby uwe |
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1 Replies
2033 Views |
April 11, 2025, 06:02:08 PM by uwe |
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1 Replies
16226 Views |
November 28, 2023, 10:40:21 AM by manas.sharma |
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NumForce using riper
Started by Danieldeis |
4 Replies
14327 Views |
September 26, 2023, 06:12:21 PM by uwe |
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Hessian calculation using riper
Started by Danieldeis |
3 Replies
12899 Views |
August 25, 2023, 09:01:28 PM by antti_karttunen |
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3 Replies
13065 Views |
July 14, 2023, 01:51:15 PM by turbomaster |
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IMPORTANT: pob basis sets and ECPs
Started by turbomaster |
0 Replies
10458 Views |
July 09, 2023, 01:38:48 PM by turbomaster |
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1 Replies
11401 Views |
July 09, 2023, 12:06:42 PM by turbomaster |
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4 Replies
18306 Views |
December 12, 2022, 10:42:45 AM by uwe |
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3 Replies
17655 Views |
December 11, 2022, 10:04:48 PM by JakubV |
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Convergence problem
Started by eliseo |
12 Replies
31006 Views |
October 29, 2022, 12:38:21 AM by turbomaster |
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Elastic stress tensor calculation
Started by alainC |
0 Replies
10012 Views |
September 07, 2022, 09:26:30 PM by alainC |
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Molecular crystal slab calculation
Started by alainC |
0 Replies
9935 Views |
September 07, 2022, 09:24:37 PM by alainC |
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Sublimation enthalpy & entropy of salt
Started by Glxblt76 |
1 Replies
12567 Views |
October 10, 2020, 04:17:04 PM by mas |
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2 Replies
13553 Views |
April 08, 2020, 06:42:42 PM by kesha |
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Excited states for periodic boundary conditions?
Started by ander210 |
1 Replies
13748 Views |
October 22, 2019, 07:55:33 PM by mas |
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Effective core potentials bug in the riper module
Started by mas |
0 Replies
12461 Views |
October 11, 2019, 11:58:17 AM by mas |
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transiton state search
Started by Aleksandar Staykov |
2 Replies
15331 Views |
January 03, 2019, 03:17:00 AM by Aleksandar Staykov |
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2 Replies
15320 Views |
November 13, 2018, 06:20:43 PM by skundu07 |
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4 Replies
16472 Views |
November 13, 2018, 06:11:15 PM by skundu07 |
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