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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How to calculate dielectric function in microwave (GhZ) range

Last post by askhetan « Tue Jul 05, 2022 2:48 pm
Replies: 4
by askhetan » Thu Jun 16, 2022 8:44 am

4 Replies

124 Views

Last post by askhetan
Tue Jul 05, 2022 2:48 pm
Bandstructure with SOC

Last post by rishikanta_m « Tue Jul 05, 2022 2:44 am
Replies: 1
by rishikanta_m » Mon Jul 04, 2022 2:39 am

1 Replies

32 Views

Last post by rishikanta_m
Tue Jul 05, 2022 2:44 am
spin of hydrogen atom nuclei (ortho or para)

Last post by fabien_tran1 « Mon Jul 04, 2022 8:56 pm
Replies: 1
by sahar_jafari » Mon Jul 04, 2022 8:28 pm

1 Replies

17 Views

Last post by fabien_tran1
Mon Jul 04, 2022 8:56 pm
About NVT, I got an error.

Last post by fabien_tran1 « Mon Jul 04, 2022 1:55 pm
Replies: 6
by guangsheng_liu1 » Sun Jun 26, 2022 6:19 am

6 Replies

254 Views

Last post by fabien_tran1
Mon Jul 04, 2022 1:55 pm
Output file distribution

Last post by fabien_tran1 « Mon Jul 04, 2022 12:57 pm
Replies: 1
by nicholas_dimakis1 » Wed Jun 29, 2022 7:27 pm

1 Replies

38 Views

Last post by fabien_tran1
Mon Jul 04, 2022 12:57 pm
MLFF for bulk liquids

Last post by suojiang_zhang1 « Mon Jul 04, 2022 12:16 pm
Replies: 12
by suojiang_zhang1 » Fri May 20, 2022 6:44 am

12 Replies

1058 Views

Last post by suojiang_zhang1
Mon Jul 04, 2022 12:16 pm
GW+U and HSE+U

Last post by fabien_tran1 « Sun Jul 03, 2022 8:35 am
Replies: 17
by yuanchang_li » Mon Jun 27, 2022 11:15 am
1

2
17 Replies

357 Views

Last post by fabien_tran1
Sun Jul 03, 2022 8:35 am
Charged system IO3-

Last post by armando_derezende « Thu Jun 30, 2022 10:00 pm
Replies: 2
by armando_derezende » Wed Jun 29, 2022 10:18 pm

2 Replies

36 Views

Last post by armando_derezende
Thu Jun 30, 2022 10:00 pm
SCF calculation not converge with VASP 6.3.0

Last post by fabien_tran1 « Thu Jun 30, 2022 9:03 am
Replies: 3
by suojiang_zhang1 » Thu Jun 30, 2022 6:26 am

3 Replies

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Last post by fabien_tran1
Thu Jun 30, 2022 9:03 am
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

2129 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

278 Views

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

407 Views

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

232 Views

Last post by weronika_walkosz3
Mon Jun 27, 2022 6:52 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

106 Views

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

127 Views

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

160 Views

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

126 Views

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

503 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

76 Views

Last post by fabien_tran1
Fri Jun 24, 2022 4:05 pm

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