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NaN in Machine Learning of liquid surfacs

Last post by ferenc_karsai « Fri Dec 02, 2022 1:22 pm
Replies: 5
by julien_steffen » Mon Oct 24, 2022 11:51 am

5 Replies

12913 Views

Last post by ferenc_karsai
Fri Dec 02, 2022 1:22 pm
BSE - WAVEDER cannot be found

Last post by pnikacevic « Tue Nov 29, 2022 11:26 am
Replies: 4
by pnikacevic » Wed Nov 23, 2022 2:17 pm

4 Replies

12038 Views

Last post by pnikacevic
Tue Nov 29, 2022 11:26 am
memory leak: AIMD with openmpi 4.1.4 on GPUs

Last post by liu_jiyuan « Thu Nov 24, 2022 1:02 am
Replies: 2
by liu_jiyuan » Sat Nov 19, 2022 2:12 pm

2 Replies

10142 Views

Last post by liu_jiyuan
Thu Nov 24, 2022 1:02 am
EFIELD bug in VASP 6.1.2

Last post by merzuk.kaltak « Mon Nov 21, 2022 2:44 pm
Replies: 1
by nfchilton » Mon Nov 21, 2022 12:21 pm

1 Replies

7639 Views

Last post by merzuk.kaltak
Mon Nov 21, 2022 2:44 pm
bur report: ML_ISTART=3, ^@ in System name of ML_ABN

Last post by ferenc_karsai « Wed Nov 16, 2022 2:55 pm
Replies: 2
by jianli_shao1 » Wed Nov 16, 2022 5:12 am

2 Replies

9376 Views

Last post by ferenc_karsai
Wed Nov 16, 2022 2:55 pm
BUG when running supercell SCF calculation

Last post by henrique_miranda « Mon Nov 14, 2022 2:07 pm
Replies: 5
by jbackman » Tue Nov 08, 2022 3:55 pm

5 Replies

12223 Views

Last post by henrique_miranda
Mon Nov 14, 2022 2:07 pm
VASP 6.3.1 KPOINTS_OPT and NPAR

Last post by chenghao_liu1 « Fri Nov 04, 2022 7:12 pm
Replies: 6
by chenghao_liu1 » Sat Oct 29, 2022 3:43 am

6 Replies

11332 Views

Last post by chenghao_liu1
Fri Nov 04, 2022 7:12 pm
NDOS >= 10000 Breaks Doscar Formatting

Last post by fabien_tran1 « Thu Oct 13, 2022 12:12 pm
Replies: 1
by graham_pritchard » Tue Oct 11, 2022 7:52 pm

1 Replies

4982 Views

Last post by fabien_tran1
Thu Oct 13, 2022 12:12 pm
internal error in: radial.F at line: 844

Last post by martin.schlipf « Tue Oct 04, 2022 10:06 am
Replies: 4
by paulfons » Tue Oct 04, 2022 5:26 am

4 Replies

8421 Views

Last post by martin.schlipf
Tue Oct 04, 2022 10:06 am
Bug report: problems with constrained magnetic moment: VASP 6.3.2, OpenACC, R2SCAN

Last post by merzuk.kaltak « Mon Sep 12, 2022 1:33 pm
Replies: 4
by arnab_kabiraj1 » Wed Sep 07, 2022 12:50 pm

4 Replies

9304 Views

Last post by merzuk.kaltak
Mon Sep 12, 2022 1:33 pm
bug with writing ML_LOGFILE

Last post by andreas.singraber « Fri Sep 02, 2022 3:13 pm
Replies: 1
by xiliang_lian » Tue Aug 30, 2022 7:12 pm

1 Replies

5157 Views

Last post by andreas.singraber
Fri Sep 02, 2022 3:13 pm
VASP 6.2.0 -- HSE06 Out of Memory Bug

Last post by graham_pritchard « Fri Jul 29, 2022 3:22 pm
Replies: 3
by graham_pritchard » Sun Jul 24, 2022 1:50 am

3 Replies

10107 Views

Last post by graham_pritchard
Fri Jul 29, 2022 3:22 pm
A correction of the VASP WIKI page for the IMAGES flag.

Last post by fabien_tran1 « Fri Jul 08, 2022 4:02 pm
Replies: 1
by john_low1 » Fri Jul 08, 2022 3:45 pm

1 Replies

5917 Views

Last post by fabien_tran1
Fri Jul 08, 2022 4:02 pm
VASP2WANNIER90 UNK file bug

Last post by henrique_miranda « Wed Jul 06, 2022 4:01 pm
Replies: 8
by chengcheng_xiao1 » Thu May 20, 2021 10:59 am

8 Replies

29429 Views

Last post by henrique_miranda
Wed Jul 06, 2022 4:01 pm
VASP 6.3.0 crashes several nodes on lonestar 6-Update

Last post by martin.schlipf « Tue Jun 07, 2022 11:45 am
Replies: 1
by nicholas_dimakis1 » Mon Jun 06, 2022 8:18 pm

1 Replies

6006 Views

Last post by martin.schlipf
Tue Jun 07, 2022 11:45 am
MLFF segmentation error due to overlapping atomic species in POSCAR and POTCAR

Last post by ferenc_karsai « Wed May 25, 2022 1:47 pm
Replies: 1
by nobuhiko_nishiya » Wed May 25, 2022 8:45 am

1 Replies

5854 Views

Last post by ferenc_karsai
Wed May 25, 2022 1:47 pm
Electronic convergence failure ZnO-Eu

Last post by andreas.singraber « Tue May 24, 2022 8:15 am
Replies: 1
by abhishek_mishra1 » Sun May 22, 2022 7:58 am

1 Replies

5913 Views

Last post by andreas.singraber
Tue May 24, 2022 8:15 am
VASP 6.3.0 crashes several nodes on lonestar 6

Last post by andreas.singraber « Fri May 20, 2022 2:52 pm
Replies: 5
by nicholas_dimakis1 » Tue May 10, 2022 10:50 pm

5 Replies

11734 Views

Last post by andreas.singraber
Fri May 20, 2022 2:52 pm
unphysical ELF for NdNiO2

Last post by marie-therese.huebsch « Wed May 11, 2022 8:19 am
Replies: 4
by foyevtsova » Tue Apr 26, 2022 7:23 pm

4 Replies

8940 Views

Last post by marie-therese.huebsch
Wed May 11, 2022 8:19 am
RPA FORCE calculations crash with vasp_gam

Last post by pinchenx « Thu May 05, 2022 1:42 am
Replies: 3
by pinchenx » Wed Apr 27, 2022 7:55 am

3 Replies

8098 Views

Last post by pinchenx
Thu May 05, 2022 1:42 am

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