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convergence issue of vasp6

Last post by zwangdtu « Sun Apr 10, 2022 2:35 pm
Replies: 3
by zwangdtu » Wed Apr 06, 2022 11:20 am

3 Replies

9710 Views

Last post by zwangdtu
Sun Apr 10, 2022 2:35 pm
bug report for vasp6

Last post by merzuk.kaltak « Fri Apr 08, 2022 11:23 am
Replies: 3
by mario_Japan » Mon Apr 04, 2022 8:03 am

3 Replies

11014 Views

Last post by merzuk.kaltak
Fri Apr 08, 2022 11:23 am
error in automatic detection of NTAUPAR

Last post by merzuk.kaltak « Fri Apr 08, 2022 11:04 am
Replies: 1
by kdoblhoff » Fri Apr 01, 2022 8:59 am

1 Replies

6544 Views

Last post by merzuk.kaltak
Fri Apr 08, 2022 11:04 am
MetaGGA tests fail on AMD 7742 based system with GCC

Last post by aturner-epcc « Wed Mar 30, 2022 6:43 pm
Replies: 4
by aturner-epcc » Fri Mar 25, 2022 12:09 pm

4 Replies

11403 Views

Last post by aturner-epcc
Wed Mar 30, 2022 6:43 pm
internal error in: wave.F at line: 3025

Last post by marie-therese.huebsch « Tue Mar 29, 2022 3:11 pm
Replies: 7
by rebecca_concalves1 » Wed Mar 23, 2022 7:25 pm

7 Replies

14657 Views

Last post by marie-therese.huebsch
Tue Mar 29, 2022 3:11 pm
Possible small error in the Wiki entry for ICHARG

Last post by marie-therese.huebsch « Tue Mar 29, 2022 7:08 am
Replies: 1
by MBaeker » Mon Mar 28, 2022 12:52 pm

1 Replies

5855 Views

Last post by marie-therese.huebsch
Tue Mar 29, 2022 7:08 am
BUG in vasp.6.3.0: internal error in: radial.F

Last post by Yicheng « Wed Mar 23, 2022 8:38 am
Replies: 5
by Yicheng » Fri Mar 11, 2022 3:39 pm

5 Replies

13686 Views

Last post by Yicheng
Wed Mar 23, 2022 8:38 am
GW calculation not completing properly with NEDOS tag

Last post by ferenc_karsai « Wed Mar 02, 2022 4:28 pm
Replies: 1
by pnikacevic » Fri Feb 25, 2022 10:43 am

1 Replies

7033 Views

Last post by ferenc_karsai
Wed Mar 02, 2022 4:28 pm
possible bug in scala.F

Last post by ferenc_karsai « Tue Mar 01, 2022 6:08 am
Replies: 1
by sergey_lisenkov1 » Tue Feb 22, 2022 1:38 am

1 Replies

6593 Views

Last post by ferenc_karsai
Tue Mar 01, 2022 6:08 am
init_acc in openacc.F uses wrong argument type

Last post by ferenc_karsai « Tue Mar 01, 2022 5:59 am
Replies: 2
by kevinroy » Tue Dec 07, 2021 1:49 pm

2 Replies

9198 Views

Last post by ferenc_karsai
Tue Mar 01, 2022 5:59 am
Fermi level in VASP6

Last post by duccoi « Wed Feb 23, 2022 1:06 pm
Replies: 2
by duccoi » Tue Feb 22, 2022 4:45 pm

2 Replies

7862 Views

Last post by duccoi
Wed Feb 23, 2022 1:06 pm
internal error in: nonlr.F at line: 1141

Last post by ferenc_karsai « Thu Feb 10, 2022 2:18 pm
Replies: 1
by KWH » Mon Feb 07, 2022 11:49 pm

1 Replies

6933 Views

Last post by ferenc_karsai
Thu Feb 10, 2022 2:18 pm
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

9699 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

16032 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

11355 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

11393 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

20165 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

13619 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

18904 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

19465 Views

Last post by martin.schlipf
Mon Nov 15, 2021 8:29 am

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