Using VASP

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External pressure in NPT run

Last post by admin « Thu Feb 16, 2017 11:03 am
Replies: 1
by skureshi » Wed Feb 15, 2017 8:36 pm

1 Replies

6594 Views

Last post by admin
Thu Feb 16, 2017 11:03 am
How does the VASP MD stop running?

Last post by admin « Wed Feb 08, 2017 2:15 pm
Replies: 5
by luckylin » Wed Jan 25, 2017 10:50 am

5 Replies

9052 Views

Last post by admin
Wed Feb 08, 2017 2:15 pm
Wave function projections

Last post by jmullen « Mon Feb 06, 2017 2:16 pm
Replies: 5
by jmullen » Wed Oct 05, 2016 5:34 pm

5 Replies

5251 Views

Last post by jmullen
Mon Feb 06, 2017 2:16 pm
MD at constant temperature in metals

Last post by call_me_Al « Mon Jan 23, 2017 5:28 pm
Replies: 1
by call_me_Al » Wed Jan 18, 2017 12:53 pm

1 Replies

5525 Views

Last post by call_me_Al
Mon Jan 23, 2017 5:28 pm
U parameter

Last post by tfrankcombe « Thu Jan 12, 2017 3:16 am
Replies: 1
by rrpalanichamy » Thu Dec 29, 2016 3:35 am

1 Replies

3800 Views

Last post by tfrankcombe
Thu Jan 12, 2017 3:16 am
Combine IBRION=8 and van der Waals correction

Last post by admin « Mon Jan 02, 2017 3:09 pm
Replies: 1
by hantarto » Mon Jan 02, 2017 7:33 am

1 Replies

3410 Views

Last post by admin
Mon Jan 02, 2017 3:09 pm
FORCES in PC and SC

Last post by admin « Mon Jan 02, 2017 12:04 pm
Replies: 1
by luke419 » Mon Dec 26, 2016 8:22 am

1 Replies

3155 Views

Last post by admin
Mon Jan 02, 2017 12:04 pm
Is it impossible to get spin selected charge density?

Last post by admin « Fri Dec 16, 2016 3:14 pm
Replies: 1
by hess8 » Thu Dec 15, 2016 7:43 pm

1 Replies

3369 Views

Last post by admin
Fri Dec 16, 2016 3:14 pm
larger wigner seitz radius during relaxation in VASP?

Last post by admin « Fri Dec 16, 2016 11:51 am
Replies: 3
by arwa » Wed Dec 14, 2016 2:29 pm

3 Replies

4798 Views

Last post by admin
Fri Dec 16, 2016 11:51 am
Bandstructure using HSE06 functional

Last post by jmullen « Wed Dec 07, 2016 7:44 pm
Replies: 3
by deepashri » Thu Nov 17, 2016 8:30 am

3 Replies

5132 Views

Last post by jmullen
Wed Dec 07, 2016 7:44 pm
POSCAR for extended solids

Last post by alex « Fri Nov 25, 2016 9:46 am
Replies: 4
by call_me_Al » Tue Nov 22, 2016 6:42 pm

4 Replies

5641 Views

Last post by alex
Fri Nov 25, 2016 9:46 am
Comparing energies of calculations with different ISMEAR

Last post by smattsson « Thu Nov 10, 2016 3:53 pm
Replies: 3
by smattsson » Wed Sep 28, 2016 3:17 pm

3 Replies

8870 Views

Last post by smattsson
Thu Nov 10, 2016 3:53 pm
atomic position - AFm

Last post by admin « Thu Nov 10, 2016 10:25 am
Replies: 1
by rrpalanichamy » Wed Nov 09, 2016 1:35 pm

1 Replies

3251 Views

Last post by admin
Thu Nov 10, 2016 10:25 am
ab-initio MD to simulate SW defect in 2D system

Last post by psriv « Mon Oct 31, 2016 1:58 am
Replies: 4
by psriv » Tue Oct 25, 2016 9:09 am

4 Replies

4616 Views

Last post by psriv
Mon Oct 31, 2016 1:58 am
magnetic moment for LiMn1.5Ni0.5O4

Last post by cpp6f « Wed Oct 26, 2016 8:51 pm
Replies: 1
by mhankel » Tue Oct 04, 2016 1:21 am

1 Replies

4888 Views

Last post by cpp6f
Wed Oct 26, 2016 8:51 pm
definition of total local potential

Last post by cpp6f « Wed Oct 26, 2016 8:41 pm
Replies: 1
by 5-903 » Wed Oct 05, 2016 5:33 pm

1 Replies

5255 Views

Last post by cpp6f
Wed Oct 26, 2016 8:41 pm
HSE+ISPIN=2 calculations in cu2o

Last post by leisy « Tue Oct 11, 2016 9:29 am
Replies: 4
by leisy » Tue Sep 20, 2016 5:20 am

4 Replies

5928 Views

Last post by leisy
Tue Oct 11, 2016 9:29 am
Perform Wannier Projection with Parallelization

Last post by admin « Tue Sep 13, 2016 3:39 pm
Replies: 2
by davalenciah » Sat Aug 13, 2016 8:05 pm

2 Replies

4544 Views

Last post by admin
Tue Sep 13, 2016 3:39 pm
Gibbs Free Energy and VASP

Last post by admin « Fri Aug 19, 2016 12:13 pm
Replies: 1
by markmick » Tue Aug 09, 2016 5:54 pm

1 Replies

8627 Views

Last post by admin
Fri Aug 19, 2016 12:13 pm
ALGO = Exact not running for optical properties

Last post by M Dave « Fri Aug 19, 2016 9:41 am
Replies: 2
by M Dave » Fri Aug 12, 2016 7:53 am

2 Replies

5372 Views

Last post by M Dave
Fri Aug 19, 2016 9:41 am

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