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Convergence problem of climb NEB calculation

Last post by alexey.tal « Tue Feb 08, 2022 1:01 pm
Replies: 3
by can_liu » Tue Feb 01, 2022 3:04 am

3 Replies

6591 Views

Last post by alexey.tal
Tue Feb 08, 2022 1:01 pm
Sm Pseudopotentials used for GGA and HSE06

Last post by marykate_ « Sat Feb 05, 2022 10:19 pm
Replies: 4
by marykate_ » Mon Dec 06, 2021 7:22 pm

4 Replies

11977 Views

Last post by marykate_
Sat Feb 05, 2022 10:19 pm
internal error in: mkpoints_change.F at line: 786

Last post by alexey.tal « Tue Feb 01, 2022 12:30 pm
Replies: 3
by sergey_lisenkov1 » Fri Jan 28, 2022 2:31 pm

3 Replies

8095 Views

Last post by alexey.tal
Tue Feb 01, 2022 12:30 pm
Inconsistencies in XANES wiki documentation

Last post by ferenc_karsai « Mon Dec 27, 2021 9:21 am
Replies: 3
by aohara » Tue Dec 14, 2021 8:04 pm

3 Replies

8035 Views

Last post by ferenc_karsai
Mon Dec 27, 2021 9:21 am
VASP 6.2.1 sporadically hangs for hybrid calculations using multiple nodes

Last post by andreas.singraber « Tue Dec 21, 2021 3:00 pm
Replies: 7
by guyohad » Tue Nov 30, 2021 3:25 pm

7 Replies

15116 Views

Last post by andreas.singraber
Tue Dec 21, 2021 3:00 pm
Electron-phonon interactions on diamond 6x6x6 supercell

Last post by ferenc_karsai « Wed Dec 15, 2021 9:45 am
Replies: 2
by alex_ganose » Mon Nov 29, 2021 10:59 am

2 Replies

10801 Views

Last post by ferenc_karsai
Wed Dec 15, 2021 9:45 am
Symmetry of XANES L-edge for Si defect in Graphene

Last post by ferenc_karsai « Mon Dec 06, 2021 4:29 pm
Replies: 3
by aohara » Wed Nov 17, 2021 5:44 pm

3 Replies

15685 Views

Last post by ferenc_karsai
Mon Dec 06, 2021 4:29 pm
PARCHG writing error for LSEPB = T and LSEPK = T

Last post by martin.schlipf « Mon Nov 15, 2021 8:29 am
Replies: 5
by joel_eaves » Thu Oct 28, 2021 10:26 pm

5 Replies

15793 Views

Last post by martin.schlipf
Mon Nov 15, 2021 8:29 am
doubled imaginary dielectric function output with ISMEAR=-5 and ISPIN=1

Last post by martin.schlipf « Tue Nov 09, 2021 7:48 am
Replies: 5
by bonan_zhu » Fri Oct 22, 2021 11:46 am

5 Replies

17112 Views

Last post by martin.schlipf
Tue Nov 09, 2021 7:48 am
GW calc error - the frequency range is not sufficient

Last post by martin.schlipf « Fri Nov 05, 2021 1:24 pm
Replies: 5
by pnikacevic » Fri Oct 22, 2021 8:07 am

5 Replies

15055 Views

Last post by martin.schlipf
Fri Nov 05, 2021 1:24 pm
Ionic contribution to the macroscopic polarization

Last post by chengcheng_xiao1 « Thu Nov 04, 2021 3:48 pm
Replies: 3
by chengcheng_xiao1 » Sat May 22, 2021 10:17 am

3 Replies

15823 Views

Last post by chengcheng_xiao1
Thu Nov 04, 2021 3:48 pm
not displayed electronic dipole moment value

Last post by martin.schlipf « Thu Nov 04, 2021 2:21 pm
Replies: 3
by fei_wang3 » Thu Nov 04, 2021 12:19 pm

3 Replies

10592 Views

Last post by martin.schlipf
Thu Nov 04, 2021 2:21 pm
Problem with running an input

Last post by martin.schlipf « Tue Oct 26, 2021 7:44 pm
Replies: 1
by piotr_szkudlarek » Tue Oct 26, 2021 6:03 pm

1 Replies

10141 Views

Last post by martin.schlipf
Tue Oct 26, 2021 7:44 pm
Problem with VASP6

Last post by andreas.singraber « Mon Oct 04, 2021 2:09 pm
Replies: 11
by suyeon_ju » Tue Jun 02, 2020 12:24 pm

11 Replies

30296 Views

Last post by andreas.singraber
Mon Oct 04, 2021 2:09 pm
LWANNIER90 with KSPACING.....internal error in: mkkpoints_charge.F

Last post by ferenc_karsai « Mon Sep 27, 2021 8:54 am
Replies: 5
by preston_vargas » Fri Sep 10, 2021 7:20 pm

5 Replies

16162 Views

Last post by ferenc_karsai
Mon Sep 27, 2021 8:54 am
Incorrect pressure at energy minimum with rVV10

Last post by martin.schlipf « Mon Sep 13, 2021 8:21 am
Replies: 4
by aaron_kaplan1 » Thu Jun 10, 2021 9:01 pm

4 Replies

15463 Views

Last post by martin.schlipf
Mon Sep 13, 2021 8:21 am
Crash when computing MMN with NCORE>1

Last post by henrique_miranda « Wed Jul 28, 2021 5:39 pm
Replies: 3
by ashwin_r » Wed Jul 21, 2021 2:50 pm

3 Replies

13701 Views

Last post by henrique_miranda
Wed Jul 28, 2021 5:39 pm
SIGSEGV in vasp 5.4.4 on line 808 of hamil.F

Last post by craig_plaisance1 « Thu Jul 22, 2021 7:57 pm
Replies: 2
by craig_plaisance1 » Wed Jul 21, 2021 7:06 pm

2 Replies

11809 Views

Last post by craig_plaisance1
Thu Jul 22, 2021 7:57 pm
WAVEDERF depends on NCORE/NPAR?

Last post by henrique_miranda « Tue Jul 20, 2021 8:01 am
Replies: 2
by aohara » Thu Jul 15, 2021 3:07 am

2 Replies

12513 Views

Last post by henrique_miranda
Tue Jul 20, 2021 8:01 am
Hang MPI process when steps in wannier_run

Last post by martin.schlipf « Thu Jun 24, 2021 1:39 pm
Replies: 1
by zongxiang_hu » Thu Jun 24, 2021 1:00 pm

1 Replies

8673 Views

Last post by martin.schlipf
Thu Jun 24, 2021 1:39 pm

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