Using VASP

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Last post by admin « Mon Sep 24, 2018 1:44 pm

by admin » Mon Sep 24, 2018 1:44 pm

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Running AIMD with electric field

Last post by martin.schlipf « Thu Jun 01, 2023 6:48 am
Replies: 1
by xuyinan » Thu Jun 01, 2023 2:50 am

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Last post by martin.schlipf
Thu Jun 01, 2023 6:48 am
4/5 Images running on Climbing Image NEB

Last post by martin.schlipf « Wed May 31, 2023 6:47 am
Replies: 7
by myless » Thu May 18, 2023 1:37 pm

7 Replies

111 Views

Last post by martin.schlipf
Wed May 31, 2023 6:47 am
Dielectric tensor in metals

Last post by martin.schlipf « Tue May 30, 2023 10:15 am
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by maria_camarasa-gomez » Wed May 24, 2023 9:31 am

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Last post by martin.schlipf
Tue May 30, 2023 10:15 am
Problem during wannierization

Last post by farhan_tanzim « Tue May 30, 2023 10:05 am
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by farhan_tanzim » Sat May 27, 2023 11:14 am

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Last post by farhan_tanzim
Tue May 30, 2023 10:05 am
Magnetism and spin-orbit coupling in GW calculations

Last post by martin.schlipf « Tue May 30, 2023 9:58 am
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by irene_aguilera1 » Tue May 23, 2023 6:47 pm

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Last post by martin.schlipf
Tue May 30, 2023 9:58 am
Which of the following is the more optimal method to determine crystal structures?

Last post by martin.schlipf « Tue May 30, 2023 8:25 am
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by Leon1999526 » Mon May 29, 2023 3:56 am

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Last post by martin.schlipf
Tue May 30, 2023 8:25 am
EFERMI = MIDGAP is not the default in v6.4.1?

Last post by martin.schlipf « Tue May 30, 2023 8:20 am
Replies: 1
by alpinnovianus » Mon May 29, 2023 3:29 am

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Last post by martin.schlipf
Tue May 30, 2023 8:20 am
How to resolve the segmentation fault error when enabling spin-orbit coupling in VASP?

Last post by purbajyoti_bhagowati1 « Sat May 27, 2023 2:42 pm
Replies: 6
by purbajyoti_bhagowati1 » Thu May 25, 2023 9:14 am

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Last post by purbajyoti_bhagowati1
Sat May 27, 2023 2:42 pm
Energies of core levels

Last post by martin.schlipf « Thu May 25, 2023 8:18 am
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by eleonora_ascrizzi » Wed May 24, 2023 1:40 pm

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Thu May 25, 2023 8:18 am
Bug: internal error in CHECK_FULL_KPOINTS: KPOINTS_FULL not properly initialised

Last post by eleonora_ascrizzi « Wed May 24, 2023 1:32 pm
Replies: 2
by eleonora_ascrizzi » Fri Apr 28, 2023 5:41 pm

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Last post by eleonora_ascrizzi
Wed May 24, 2023 1:32 pm
References for the total energy in VASP

Last post by martin.schlipf « Wed May 24, 2023 12:37 pm
Replies: 3
by alpinnovianus » Mon May 22, 2023 1:18 pm

3 Replies

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Last post by martin.schlipf
Wed May 24, 2023 12:37 pm
structure visualization in py4vasp

Last post by katsuaki_tanabe1 « Tue May 23, 2023 6:03 am
Replies: 2
by katsuaki_tanabe1 » Mon May 22, 2023 5:30 am

2 Replies

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Last post by katsuaki_tanabe1
Tue May 23, 2023 6:03 am
Procedure to compare DFT vs MLFF

Last post by exk301 « Mon May 22, 2023 7:58 pm
Replies: 2
by exk301 » Fri May 12, 2023 7:29 pm

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Last post by exk301
Mon May 22, 2023 7:58 pm
BSE calculations in spin-polarization systems

Last post by alexey.tal « Mon May 22, 2023 3:35 pm
Replies: 5
by yuanchang_li » Wed May 19, 2021 7:10 am

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Last post by alexey.tal
Mon May 22, 2023 3:35 pm
How to construct a TMPCAR file manually

Last post by Qiuju Zhang « Mon May 22, 2023 8:59 am
Replies: 2
by Qiuju Zhang » Sun May 07, 2023 10:05 am

2 Replies

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Last post by Qiuju Zhang
Mon May 22, 2023 8:59 am
Generating Cu2+ ion on Cu100 slab with fractional occupation

Last post by alex « Mon May 22, 2023 6:50 am
Replies: 1
by richard_kang » Sat May 20, 2023 9:26 am

1 Replies

121 Views

Last post by alex
Mon May 22, 2023 6:50 am
Charge density plot with py4vasp

Last post by martin.schlipf « Fri May 19, 2023 1:40 pm
Replies: 1
by hatedark1 » Mon May 15, 2023 6:20 pm

1 Replies

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Last post by martin.schlipf
Fri May 19, 2023 1:40 pm
syntax error in py4vasp

Last post by katsuaki_tanabe1 « Thu May 18, 2023 12:13 am
Replies: 5
by katsuaki_tanabe1 » Wed Feb 22, 2023 1:01 am

5 Replies

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Last post by katsuaki_tanabe1
Thu May 18, 2023 12:13 am
Error Runnnig Machine Learning Froce Fields, exit code 9

Last post by burakgurlek « Wed May 17, 2023 9:30 am
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by burakgurlek » Wed May 10, 2023 4:34 pm

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Last post by burakgurlek
Wed May 17, 2023 9:30 am

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