Using VASP

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Band crossing in MD

Last post by tfrankcombe « Mon May 15, 2017 2:33 am

by tfrankcombe » Mon May 15, 2017 2:33 am

0 Replies

2218 Views

Last post by tfrankcombe
Mon May 15, 2017 2:33 am
smearing tuning

Last post by vunazarov « Sun May 07, 2017 2:03 am
Replies: 2
by vunazarov » Tue May 02, 2017 9:14 am

2 Replies

2343 Views

Last post by vunazarov
Sun May 07, 2017 2:03 am
Geometry relaxation with external electric field

Last post by admin « Wed Apr 19, 2017 10:29 am
Replies: 3
by anton » Wed Mar 15, 2017 10:53 am

3 Replies

5311 Views

Last post by admin
Wed Apr 19, 2017 10:29 am
Transferability of van der Waals parameters across schemes

Last post by admin « Thu Apr 06, 2017 7:47 am
Replies: 3
by hipertrofia » Thu Mar 30, 2017 9:27 am

3 Replies

3061 Views

Last post by admin
Thu Apr 06, 2017 7:47 am
Two questions regarding MP2 calculations

Last post by holmste1 « Tue Mar 28, 2017 8:12 am
Replies: 1
by holmste1 » Wed Feb 01, 2017 12:08 pm

1 Replies

1961 Views

Last post by holmste1
Tue Mar 28, 2017 8:12 am
correct use of FERWE and LOPTICS

Last post by call_me_Al « Tue Mar 07, 2017 7:44 pm
Replies: 3
by call_me_Al » Sun Feb 26, 2017 5:31 pm

3 Replies

3030 Views

Last post by call_me_Al
Tue Mar 07, 2017 7:44 pm
Scaling behavior of ACFDT-RPA and low-scaling version

Last post by kelum « Fri Mar 03, 2017 10:26 am
Replies: 3
by ehermes » Tue Feb 28, 2017 7:33 pm

3 Replies

2637 Views

Last post by kelum
Fri Mar 03, 2017 10:26 am
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

4692 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

6328 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

2730 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

4012 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

2242 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

1969 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

1769 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

1925 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

2751 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

3179 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

2945 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

4328 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

1850 Views

Last post by admin
Thu Nov 10, 2016 10:25 am

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