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2 errors when doing HSE calculation

Last post by alirezaa66 « Tue Apr 16, 2013 8:22 pm
Replies: 2
by alirezaa66 » Tue Apr 02, 2013 2:30 am

2 Replies

4003 Views

Last post by alirezaa66
Tue Apr 16, 2013 8:22 pm
PEAD routines and k-mesh symmetry

Last post by hipertrofia « Tue Apr 09, 2013 1:23 am
Replies: 1
by hipertrofia » Mon Apr 08, 2013 5:18 pm

1 Replies

2576 Views

Last post by hipertrofia
Tue Apr 09, 2013 1:23 am
fermi energy level below highest-occupied band !!!

Last post by admin « Mon Apr 08, 2013 6:20 pm
Replies: 3
by vaspGG » Fri Mar 29, 2013 10:18 am

3 Replies

4845 Views

Last post by admin
Mon Apr 08, 2013 6:20 pm
DOS in noncollinear calculation?

Last post by yywang « Mon Apr 01, 2013 6:40 am
Replies: 10
by Veronika » Mon Oct 24, 2005 7:52 am

10 Replies

15521 Views

Last post by yywang
Mon Apr 01, 2013 6:40 am
Errors with access to INCAR, CHGCAR and WAVECAR files for continuing jobs

Last post by admin « Fri Mar 22, 2013 6:30 pm
Replies: 1
by dvinichenko » Mon Mar 18, 2013 11:04 pm

1 Replies

2312 Views

Last post by admin
Fri Mar 22, 2013 6:30 pm
Collective abort of all ranks

Last post by gVallverdu « Thu Mar 21, 2013 4:33 pm
Replies: 5
by gVallverdu » Fri Mar 15, 2013 11:56 am

5 Replies

5777 Views

Last post by gVallverdu
Thu Mar 21, 2013 4:33 pm
internal ERROR: DEPLE: IRDMAX must be increased to 0

Last post by Danny « Fri Mar 15, 2013 3:35 pm
Replies: 1
by Danny » Wed Mar 13, 2013 11:57 pm

1 Replies

3655 Views

Last post by Danny
Fri Mar 15, 2013 3:35 pm
Why do CHGCAR have negative charge?

Last post by Danny « Fri Mar 15, 2013 3:30 pm
Replies: 4
by Benton » Thu Apr 24, 2008 12:05 pm

4 Replies

5710 Views

Last post by Danny
Fri Mar 15, 2013 3:30 pm
vasp 5.3.3 bug in call to routine DENSTA in main.F - missing argument

Last post by admin « Fri Mar 15, 2013 2:34 pm
Replies: 1
by pblanko » Thu Feb 28, 2013 4:10 am

1 Replies

2408 Views

Last post by admin
Fri Mar 15, 2013 2:34 pm
Explanation of " Charge density could not be read from file CHGCAR for ICHARG>10 " error message

Last post by duncand « Tue Mar 12, 2013 3:09 pm
Replies: 1
by hess8 » Tue Oct 25, 2011 9:52 pm

1 Replies

15303 Views

Last post by duncand
Tue Mar 12, 2013 3:09 pm
Error with non-self-consistent calculations on Vasp 5.3.3

Last post by duncand « Tue Mar 12, 2013 12:11 am
Replies: 2
by duncand » Mon Feb 25, 2013 8:21 pm

2 Replies

3784 Views

Last post by duncand
Tue Mar 12, 2013 12:11 am
LSORBIT = .TRUE.: PARCHG problem

Last post by yuuukuma « Thu Mar 07, 2013 8:42 am
Replies: 1
by blazing » Fri Jan 04, 2013 2:23 pm

1 Replies

3072 Views

Last post by yuuukuma
Thu Mar 07, 2013 8:42 am
forrtl: severe (41): insufficient virtual memory

Last post by nuten « Fri Mar 01, 2013 7:01 am
Replies: 1
by qianbon » Fri Dec 14, 2012 8:31 am

1 Replies

4819 Views

Last post by nuten
Fri Mar 01, 2013 7:01 am
Converge Problem when Using the AM05 Functional

Last post by admin « Mon Feb 25, 2013 5:22 pm
Replies: 1
by pcntsfad » Mon Feb 25, 2013 1:37 pm

1 Replies

2900 Views

Last post by admin
Mon Feb 25, 2013 5:22 pm
Total energy difference between VASP5.2.12 et VASP5.3.3

Last post by mrubes « Sat Feb 23, 2013 3:22 am
Replies: 8
by mrubes » Mon Feb 11, 2013 10:17 am

8 Replies

4910 Views

Last post by mrubes
Sat Feb 23, 2013 3:22 am
Not getting desire results for NaF example from manual (Born effective charge)

Last post by kcousins « Wed Feb 20, 2013 8:46 pm
Replies: 4
by pati » Fri Aug 10, 2007 1:12 pm

4 Replies

5602 Views

Last post by kcousins
Wed Feb 20, 2013 8:46 pm
Patches to make VASP 5.3.3 compile uploaded, consider applying

Last post by DChovan « Fri Feb 15, 2013 9:19 pm
Replies: 1
by Alenushka » Thu Dec 20, 2012 4:37 pm

1 Replies

2541 Views

Last post by DChovan
Fri Feb 15, 2013 9:19 pm
LSORBIT=TRUE + LORBIT=12

Last post by admin « Wed Feb 13, 2013 3:53 pm
Replies: 1
by mgverg » Wed Feb 13, 2013 3:11 pm

1 Replies

2221 Views

Last post by admin
Wed Feb 13, 2013 3:53 pm
extra peak in DOS plot

Last post by admin « Tue Feb 12, 2013 3:19 pm
Replies: 1
by fan27713 » Mon Feb 11, 2013 5:50 pm

1 Replies

2266 Views

Last post by admin
Tue Feb 12, 2013 3:19 pm
Reached required accuracy message without reaching EDIFFG criteria

Last post by admin « Tue Feb 12, 2013 3:12 pm
Replies: 1
by MGM » Tue Feb 12, 2013 10:55 am

1 Replies

3821 Views

Last post by admin
Tue Feb 12, 2013 3:12 pm

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