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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BSE beyond TDA

Last post by kresse_georg « Mon May 17, 2021 12:47 pm
Replies: 1
by xiaoming_wang » Thu May 06, 2021 1:15 pm

1 Replies

107 Views

Last post by kresse_georg
Mon May 17, 2021 12:47 pm
G=0 term in BSE kernel

Last post by kresse_georg « Mon May 17, 2021 12:26 pm
Replies: 1
by xiaoming_wang » Wed May 12, 2021 2:17 am

1 Replies

32 Views

Last post by kresse_georg
Mon May 17, 2021 12:26 pm
Why higher cutoff energy gives higher energy in transition metal oxide system

Last post by zongtan_fang1 « Mon May 17, 2021 9:28 am
Replies: 2
by zongtan_fang1 » Wed May 12, 2021 4:01 pm

2 Replies

63 Views

Last post by zongtan_fang1
Mon May 17, 2021 9:28 am
Step separation for ACFDTR calculations in VASP 6

Last post by kresse_georg « Mon May 17, 2021 8:53 am
Replies: 1
by Michael.Sluydts » Wed May 12, 2021 8:57 am

1 Replies

47 Views

Last post by kresse_georg
Mon May 17, 2021 8:53 am
how to obtain rotationally invariant orbitals in PDOS projection

Last post by seungjae_kwak « Sun May 16, 2021 5:39 am
Replies: 2
by seungjae_kwak » Wed Apr 21, 2021 12:40 pm

2 Replies

118 Views

Last post by seungjae_kwak
Sun May 16, 2021 5:39 am
Problem in the ALGO = CHI step.

Last post by Bikash_Patra « Thu May 13, 2021 11:42 am

by Bikash_Patra » Thu May 13, 2021 11:42 am

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Last post by Bikash_Patra
Thu May 13, 2021 11:42 am
Parallel Wannier Projections

Last post by henrique_miranda « Wed May 12, 2021 12:48 pm
Replies: 12
by jbackman » Fri Feb 26, 2021 2:02 pm

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Last post by henrique_miranda
Wed May 12, 2021 12:48 pm
Phonon calculations with IBRION=8

Last post by SKM « Tue May 11, 2021 4:25 am
Replies: 1
by deepashri » Wed Mar 08, 2017 10:30 am

1 Replies

1183 Views

Last post by SKM
Tue May 11, 2021 4:25 am
NPAR or NCORE setting for NEB

Last post by andreas.singraber « Fri May 07, 2021 12:59 pm
Replies: 1
by hlzhan » Tue May 04, 2021 5:11 am

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Last post by andreas.singraber
Fri May 07, 2021 12:59 pm
Metagga MS2 gives positive free energy

Last post by ferenc_karsai « Fri May 07, 2021 12:04 pm
Replies: 5
by richard_kang » Wed Apr 28, 2021 6:34 pm

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Last post by ferenc_karsai
Fri May 07, 2021 12:04 pm
optical properties using random phase approximation Method

Last post by ferenc_karsai « Thu May 06, 2021 5:52 am
Replies: 3
by abdul_jaleel1 » Sat Apr 24, 2021 7:47 pm

3 Replies

200 Views

Last post by ferenc_karsai
Thu May 06, 2021 5:52 am
How to use self-consistent potential correction in vasp.6.2

Last post by kenta_chokawa1 « Tue May 04, 2021 9:41 am
Replies: 2
by kenta_chokawa1 » Thu Apr 29, 2021 4:15 am

2 Replies

183 Views

Last post by kenta_chokawa1
Tue May 04, 2021 9:41 am
memory consumption in cubic scaling GW

Last post by ferenc_karsai « Tue May 04, 2021 8:00 am
Replies: 4
by xiaoming_wang » Sun Apr 25, 2021 11:03 pm

4 Replies

141 Views

Last post by ferenc_karsai
Tue May 04, 2021 8:00 am
k-point projection scheme

Last post by ferenc_karsai « Mon May 03, 2021 6:32 am
Replies: 1
by shaldar » Wed Apr 14, 2021 12:26 pm

1 Replies

139 Views

Last post by ferenc_karsai
Mon May 03, 2021 6:32 am
Recommended value for HFRCUT

Last post by ferenc_karsai « Fri Apr 30, 2021 10:04 am
Replies: 2
by Michael.Sluydts » Mon Apr 19, 2021 7:25 pm

2 Replies

158 Views

Last post by ferenc_karsai
Fri Apr 30, 2021 10:04 am
reciprocal lattice and k-lattice mismatch

Last post by alex « Wed Apr 28, 2021 11:42 am
Replies: 1
by neha_kapila » Tue Apr 27, 2021 11:23 am

1 Replies

94 Views

Last post by alex
Wed Apr 28, 2021 11:42 am
BSE on hybrid k mesh

Last post by ferenc_karsai « Tue Apr 27, 2021 8:18 am
Replies: 10
by xiaoming_wang » Tue Apr 06, 2021 1:09 am

10 Replies

395 Views

Last post by ferenc_karsai
Tue Apr 27, 2021 8:18 am
Vasp energy for core level binding energy calculation

Last post by sawantk « Fri Apr 23, 2021 5:16 pm
Replies: 4
by sawantk » Tue Apr 13, 2021 3:09 am

4 Replies

304 Views

Last post by sawantk
Fri Apr 23, 2021 5:16 pm
Why VASP gives no straight vacuum line for the surface local potential?

Last post by pbsorokin « Tue Apr 20, 2021 6:55 am
Replies: 2
by pbsorokin » Thu Apr 08, 2021 2:46 pm

2 Replies

182 Views

Last post by pbsorokin
Tue Apr 20, 2021 6:55 am

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