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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Mon Sep 24, 2018 1:44 pm
Output file distribution

Last post by nicholas_dimakis1 « Wed Jun 29, 2022 7:27 pm

by nicholas_dimakis1 » Wed Jun 29, 2022 7:27 pm

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Last post by nicholas_dimakis1
Wed Jun 29, 2022 7:27 pm
GW+U and HSE+U

Last post by fabien_tran1 « Wed Jun 29, 2022 7:04 pm
Replies: 14
by yuanchang_li » Mon Jun 27, 2022 11:15 am

14 Replies

94 Views

Last post by fabien_tran1
Wed Jun 29, 2022 7:04 pm
LRF_COMMUTATOR error in GGA (not HSE) OPTICS calculations

Last post by fabien_tran1 « Wed Jun 29, 2022 9:05 am
Replies: 3
by dhfphysics » Tue Nov 02, 2010 6:48 am

3 Replies

2108 Views

Last post by fabien_tran1
Wed Jun 29, 2022 9:05 am
VASP- GPU fails to converge

Last post by scanmat_centre « Wed Jun 29, 2022 5:10 am
Replies: 8
by scanmat_centre » Thu Jun 16, 2022 5:25 am

8 Replies

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Last post by scanmat_centre
Wed Jun 29, 2022 5:10 am
"Choosing" between degenerate lower-symmetry relaxed structures

Last post by tsmidt « Tue Jun 28, 2022 6:44 pm
Replies: 4
by tsmidt » Mon May 16, 2022 4:03 pm

4 Replies

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Last post by tsmidt
Tue Jun 28, 2022 6:44 pm
Convergence problems with dipole correction

Last post by weronika_walkosz3 « Mon Jun 27, 2022 6:52 pm
Replies: 6
by weronika_walkosz3 » Tue Jun 21, 2022 6:29 pm

6 Replies

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Last post by weronika_walkosz3
Mon Jun 27, 2022 6:52 pm
About NVT, I got an error.

Last post by guangsheng_liu1 « Mon Jun 27, 2022 3:02 pm
Replies: 5
by guangsheng_liu1 » Sun Jun 26, 2022 6:19 am

5 Replies

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Last post by guangsheng_liu1
Mon Jun 27, 2022 3:02 pm
Small BSE calculated dielectric maxima

Last post by alexey.tal « Mon Jun 27, 2022 2:58 pm
Replies: 1
by nicholas_dimakis1 » Sat Jun 25, 2022 5:59 pm

1 Replies

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Last post by alexey.tal
Mon Jun 27, 2022 2:58 pm
NEB calculation IBRION=3 vs individual calculation with IBRION=2

Last post by fabien_tran1 « Mon Jun 27, 2022 7:53 am
Replies: 5
by gu301purdue » Fri Jun 24, 2022 2:10 pm

5 Replies

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Last post by fabien_tran1
Mon Jun 27, 2022 7:53 am
Long-range hybrid functionals

Last post by fabien_tran1 « Mon Jun 27, 2022 7:32 am
Replies: 5
by heisen » Sun Jun 19, 2022 1:16 pm

5 Replies

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Last post by fabien_tran1
Mon Jun 27, 2022 7:32 am
Center of Mass Drift and Vasp hanging

Last post by paulfons « Mon Jun 27, 2022 7:08 am
Replies: 2
by paulfons » Fri Jun 24, 2022 7:38 am

2 Replies

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Last post by paulfons
Mon Jun 27, 2022 7:08 am
Error reading item IMAGES from file INCAR

Last post by alex « Mon Jun 27, 2022 7:06 am
Replies: 11
by gu301purdue » Sun Jun 12, 2022 1:15 am

11 Replies

412 Views

Last post by alex
Mon Jun 27, 2022 7:06 am
When using VASP with multiple nodes, User time and System time are too long

Last post by fabien_tran1 « Fri Jun 24, 2022 4:05 pm
Replies: 1
by Jike.Wang » Fri Jun 24, 2022 2:12 pm

1 Replies

35 Views

Last post by fabien_tran1
Fri Jun 24, 2022 4:05 pm
Does Vasp 6.3.1 calculates intraband transitions contributions ?

Last post by fabien_tran1 « Fri Jun 24, 2022 3:57 pm
Replies: 1
by nicholas_dimakis1 » Fri Jun 24, 2022 3:30 pm

1 Replies

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Last post by fabien_tran1
Fri Jun 24, 2022 3:57 pm
About slection of NBANDS, NBANDSV and NBANDSO

Last post by alexey.tal « Fri Jun 24, 2022 2:39 pm
Replies: 1
by alok_shukla1 » Fri Jun 24, 2022 5:05 am

1 Replies

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Last post by alexey.tal
Fri Jun 24, 2022 2:39 pm
In MD: Non-zero average forces acting on atoms of system at higher temperature

Last post by toms_bucko1 « Thu Jun 23, 2022 1:39 pm
Replies: 3
by alok_shukla1 » Sun May 15, 2022 4:23 am

3 Replies

392 Views

Last post by toms_bucko1
Thu Jun 23, 2022 1:39 pm
ML on system with H2O

Last post by paulfons « Thu Jun 23, 2022 12:05 pm
Replies: 30
by paulfons » Mon Apr 11, 2022 7:48 am
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30 Replies

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Last post by paulfons
Thu Jun 23, 2022 12:05 pm
Molecular dynamics using VASP

Last post by ferenc_karsai « Wed Jun 22, 2022 10:52 am
Replies: 3
by valln59 » Fri Apr 01, 2022 12:58 pm

3 Replies

635 Views

Last post by ferenc_karsai
Wed Jun 22, 2022 10:52 am
Extracting dielectric properties data from GW and BSE calculations

Last post by martin.schlipf « Mon Jun 20, 2022 5:55 am
Replies: 1
by nicholas_dimakis1 » Sat Jun 18, 2022 11:05 pm

1 Replies

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Last post by martin.schlipf
Mon Jun 20, 2022 5:55 am

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