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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

7055 Views

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

Last post by merzuk.kaltak « Tue Mar 09, 2021 9:13 am
Replies: 1
by jcconesa » Mon Mar 08, 2021 7:41 pm

1 Replies

5769 Views

Last post by merzuk.kaltak
Tue Mar 09, 2021 9:13 am
Normalization of DOS by NSW parameter

Last post by MBaeker « Mon Mar 01, 2021 9:48 am
Replies: 2
by MBaeker » Fri Feb 26, 2021 12:53 pm

2 Replies

7239 Views

Last post by MBaeker
Mon Mar 01, 2021 9:48 am
internal error in: rot.F at line: 793

Last post by merzuk.kaltak « Thu Feb 25, 2021 2:29 pm
Replies: 1
by zhaoru_sun1 » Wed Feb 24, 2021 12:30 pm

1 Replies

6513 Views

Last post by merzuk.kaltak
Thu Feb 25, 2021 2:29 pm
LCALCEPS result different in 6.2 vs 5.4.4

Last post by henrique_miranda « Mon Feb 22, 2021 6:12 am
Replies: 4
by aohara » Mon Feb 15, 2021 8:40 pm

4 Replies

10067 Views

Last post by henrique_miranda
Mon Feb 22, 2021 6:12 am
num prob error

Last post by ben_howchen1 « Sat Feb 06, 2021 11:05 am
Replies: 2
by ben_howchen1 » Sat Jan 23, 2021 5:06 pm

2 Replies

37159 Views

Last post by ben_howchen1
Sat Feb 06, 2021 11:05 am
Excessive output with LAECHG=.TRUE.

Last post by henrique_miranda « Fri Jan 22, 2021 8:50 am
Replies: 1
by MBaeker » Fri Jan 22, 2021 8:23 am

1 Replies

5601 Views

Last post by henrique_miranda
Fri Jan 22, 2021 8:50 am
SEGFAULT in HAMILTMU_TAU when using SCAN functional with EDDAV in vasp.5.4.4.pl2

Last post by martin.schlipf « Mon Dec 14, 2020 10:53 am
Replies: 1
by craig_plaisance1 » Fri Dec 11, 2020 2:04 am

1 Replies

6086 Views

Last post by martin.schlipf
Mon Dec 14, 2020 10:53 am
electronic convergence issue in large(r) systems

Last post by chrstphr « Tue Dec 08, 2020 7:14 pm
Replies: 6
by chrstphr » Fri Nov 06, 2020 6:45 pm

6 Replies

13348 Views

Last post by chrstphr
Tue Dec 08, 2020 7:14 pm
REAL_OPT: internal ERROR

Last post by martin.schlipf « Mon Nov 30, 2020 7:46 am
Replies: 2
by murphy » Wed Apr 24, 2013 1:24 pm

2 Replies

10145 Views

Last post by martin.schlipf
Mon Nov 30, 2020 7:46 am
kpoint weight for BSE oscillator strength

Last post by bo_peng « Sat Nov 28, 2020 8:44 am
Replies: 9
by xiaoming_wang » Mon Jun 15, 2020 3:19 pm

9 Replies

17129 Views

Last post by bo_peng
Sat Nov 28, 2020 8:44 am
problem with magnetic calculation using vasp with pgi compiler

Last post by mariella_ippolito1 « Fri Nov 27, 2020 1:42 pm
Replies: 5
by mariella_ippolito1 » Mon Sep 28, 2020 9:08 am

5 Replies

10618 Views

Last post by mariella_ippolito1
Fri Nov 27, 2020 1:42 pm
ERROR: SBESSELITER : nicht konvergent

Last post by henrique_miranda « Tue Nov 24, 2020 8:51 am
Replies: 10
by baknoo » Thu Jun 28, 2007 5:45 am

10 Replies

27054 Views

Last post by henrique_miranda
Tue Nov 24, 2020 8:51 am
KPAR, BRMIX and Wiki entry

Last post by henrique_miranda « Thu Oct 01, 2020 11:30 am
Replies: 5
by MBaeker » Mon Sep 14, 2020 11:23 am

5 Replies

10415 Views

Last post by henrique_miranda
Thu Oct 01, 2020 11:30 am
VASP interrupt when run MD simulation

Last post by henrique_miranda « Thu Oct 01, 2020 10:29 am
Replies: 3
by gniding » Sat Aug 22, 2020 1:15 am

3 Replies

7951 Views

Last post by henrique_miranda
Thu Oct 01, 2020 10:29 am
ELFCAR ERROR

Last post by henrique_miranda « Thu Oct 01, 2020 7:18 am
Replies: 9
by sungeng » Thu Jan 08, 2015 2:59 am

9 Replies

17414 Views

Last post by henrique_miranda
Thu Oct 01, 2020 7:18 am
NON-standard FORTRAN in fftw3d.f90 causes compile issue

Last post by henrique_miranda « Tue Sep 29, 2020 7:47 am
Replies: 1
by janfredin » Thu Sep 24, 2020 4:50 pm

1 Replies

5712 Views

Last post by henrique_miranda
Tue Sep 29, 2020 7:47 am
VASP not outputting band structure

Last post by madhu_menon2 « Thu Sep 24, 2020 11:38 pm
Replies: 7
by madhu_menon2 » Mon Sep 07, 2020 2:04 am

7 Replies

13192 Views

Last post by madhu_menon2
Thu Sep 24, 2020 11:38 pm
uninitialised variables

Last post by merzuk.kaltak « Wed Sep 23, 2020 7:36 am
Replies: 1
by roger_amos1 » Wed Sep 23, 2020 4:03 am

1 Replies

5282 Views

Last post by merzuk.kaltak
Wed Sep 23, 2020 7:36 am
magnetic job hang with vasp/6.1 pgi

Last post by mariella_ippolito1 « Tue Sep 22, 2020 11:02 am
Replies: 2
by mariella_ippolito1 » Thu Sep 03, 2020 9:36 am

2 Replies

6576 Views

Last post by mariella_ippolito1
Tue Sep 22, 2020 11:02 am

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