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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

46493 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

25050 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

23583 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

20412 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

16682 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

17893 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

12125 Views

Last post by martin.schlipf
Thu Jun 24, 2021 1:39 pm
ISYM >= 0 and LOCPROJ

Last post by martin.schlipf « Tue Jun 22, 2021 8:07 am
Replies: 2
by hnourse » Mon Jun 21, 2021 2:07 am

2 Replies

17314 Views

Last post by martin.schlipf
Tue Jun 22, 2021 8:07 am
error in N pseudopotential

Last post by martin.schlipf « Mon Jun 21, 2021 7:33 am
Replies: 5
by guoxingmiao » Thu Jun 17, 2021 12:27 pm

5 Replies

19505 Views

Last post by martin.schlipf
Mon Jun 21, 2021 7:33 am
Warning: ieee_invalid

Last post by martin.schlipf « Fri Jun 11, 2021 7:01 am
Replies: 1
by tobias_kloeffel » Thu Jun 10, 2021 4:49 pm

1 Replies

13503 Views

Last post by martin.schlipf
Fri Jun 11, 2021 7:01 am
Lack of translational symmetry using using Be_sv with PBE

Last post by martin.schlipf « Thu Jun 10, 2021 8:08 am
Replies: 2
by svb » Wed Aug 28, 2019 12:59 am

2 Replies

13966 Views

Last post by martin.schlipf
Thu Jun 10, 2021 8:08 am
Hanging MPI processes when writing MMN and WANPROJ files

Last post by martin.schlipf « Fri Jun 04, 2021 6:38 am
Replies: 1
by benoit » Thu Jun 03, 2021 4:35 pm

1 Replies

10657 Views

Last post by martin.schlipf
Fri Jun 04, 2021 6:38 am
Segmentation fault in MLWF_TRAFO_RUN of mlwf.F

Last post by henrique_miranda « Fri May 28, 2021 9:06 am
Replies: 1
by satoru_matsuishi2 » Thu May 27, 2021 11:33 am

1 Replies

8796 Views

Last post by henrique_miranda
Fri May 28, 2021 9:06 am
OSZICAR not updating until the end of the calculation

Last post by naveen_agrawal1 « Thu Apr 29, 2021 10:03 pm
Replies: 3
by naveen_agrawal1 » Tue Mar 30, 2021 5:27 am

3 Replies

14270 Views

Last post by naveen_agrawal1
Thu Apr 29, 2021 10:03 pm
Convergence criterion of climb NEB calculation

Last post by can_liu « Wed Apr 14, 2021 7:01 am
Replies: 4
by can_liu » Wed Mar 31, 2021 8:51 am

4 Replies

15944 Views

Last post by can_liu
Wed Apr 14, 2021 7:01 am
Hybrid Calculation error

Last post by ferenc_karsai « Wed Apr 07, 2021 5:23 am
Replies: 3
by ben_howchen1 » Wed Feb 24, 2021 2:10 pm

3 Replies

23727 Views

Last post by ferenc_karsai
Wed Apr 07, 2021 5:23 am
large deviation in volume using SCAN for metallic Li

Last post by bonan_zhu « Fri Mar 26, 2021 9:48 am
Replies: 1
by bonan_zhu » Fri Mar 19, 2021 5:17 pm

1 Replies

8395 Views

Last post by bonan_zhu
Fri Mar 26, 2021 9:48 am
Problem with dipole moment correction for a slab

Last post by ymantz « Thu Mar 25, 2021 9:27 pm
Replies: 11
by ymantz » Wed Jan 13, 2021 3:24 pm

11 Replies

52204 Views

Last post by ymantz
Thu Mar 25, 2021 9:27 pm
VASP.6.1.0 OpenACC port reading POSCAR issue

Last post by merzuk.kaltak « Thu Mar 25, 2021 10:28 am
Replies: 3
by tj_xie » Sat Feb 27, 2021 7:57 pm

3 Replies

14469 Views

Last post by merzuk.kaltak
Thu Mar 25, 2021 10:28 am
OUTCAR typo for meta-GGA calculations (non-urgent)

Last post by aaron_kaplan1 « Wed Mar 17, 2021 6:17 pm
Replies: 2
by aaron_kaplan1 » Mon Mar 15, 2021 7:45 pm

2 Replies

9298 Views

Last post by aaron_kaplan1
Wed Mar 17, 2021 6:17 pm

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