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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

13048 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

5119 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

11162 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

6248 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

5851 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

8352 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

6977 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

6187 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

8654 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

14785 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

10206 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

10320 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

18469 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

12683 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

17830 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

18169 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

19996 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

17802 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

18268 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

12749 Views

Last post by martin.schlipf
Thu Nov 04, 2021 2:21 pm

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