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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

6338 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

5225 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

7099 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

5131 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

9610 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

9427 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

4628 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

4243 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

4269 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

6190 Views

Last post by admin
Tue Feb 12, 2013 3:12 pm
Explicit K points problem

Last post by admin « Tue Feb 12, 2013 11:05 am
Replies: 1
by davalenciah » Mon Feb 11, 2013 6:20 pm

1 Replies

3986 Views

Last post by admin
Tue Feb 12, 2013 11:05 am
required memory

Last post by cjarrett7 « Fri Feb 08, 2013 10:10 pm
Replies: 1
by cjarrett7 » Fri Feb 08, 2013 10:05 pm

1 Replies

3855 Views

Last post by cjarrett7
Fri Feb 08, 2013 10:10 pm
negative occupancies with tetrahedron method

Last post by eariel « Thu Feb 07, 2013 2:54 pm
Replies: 6
by eariel » Tue Feb 05, 2013 12:31 pm

6 Replies

10980 Views

Last post by eariel
Thu Feb 07, 2013 2:54 pm
KPOINTS related problem with Vasp 5.3.3

Last post by askhetan « Tue Feb 05, 2013 3:53 pm
Replies: 7
by askhetan » Fri Jan 11, 2013 5:36 pm

7 Replies

11534 Views

Last post by askhetan
Tue Feb 05, 2013 3:53 pm
FFT error in mpi version

Last post by acadien « Thu Jan 31, 2013 8:58 pm
Replies: 3
by bth20 » Wed Sep 14, 2005 10:42 am

3 Replies

8225 Views

Last post by acadien
Thu Jan 31, 2013 8:58 pm
[SOLVED] VASP 5 crashes when using several computing nodes (large memory)

Last post by askhetan « Thu Jan 31, 2013 12:52 pm
Replies: 5
by ivasan » Tue Oct 09, 2012 1:34 pm

5 Replies

17179 Views

Last post by askhetan
Thu Jan 31, 2013 12:52 pm
Problem calculating partial DOS

Last post by admin « Wed Jan 30, 2013 3:24 pm
Replies: 3
by keith » Mon May 14, 2007 8:58 am

3 Replies

12080 Views

Last post by admin
Wed Jan 30, 2013 3:24 pm
VASP crashses on DFT-D2 geometry optimization

Last post by admin « Wed Jan 30, 2013 12:10 pm
Replies: 3
by ermd » Fri Apr 08, 2011 10:27 am

3 Replies

7468 Views

Last post by admin
Wed Jan 30, 2013 12:10 pm
Does the dos bug exist in vasp 5.2 or older version?

Last post by sailorzh « Sun Jan 27, 2013 3:58 pm
Replies: 2
by sailorzh » Fri Jan 25, 2013 9:31 am

2 Replies

4928 Views

Last post by sailorzh
Sun Jan 27, 2013 3:58 pm
WAVECAR header corrupted after wavefunction rotation

Last post by zhuzhenhua « Sat Jan 26, 2013 11:24 am
Replies: 5
by dimaslave » Tue Jul 20, 2010 4:52 am

5 Replies

11468 Views

Last post by zhuzhenhua
Sat Jan 26, 2013 11:24 am

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