Using VASP

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wave-functions

Last post by support_vasp « Thu Sep 12, 2024 7:59 am
Replies: 1
by mmebanane » Thu Feb 23, 2012 6:02 pm

1 Replies

1145 Views

Last post by support_vasp
Thu Sep 12, 2024 7:59 am
orthorhombic lattice parameter optimization

Last post by support_vasp « Thu Sep 12, 2024 7:59 am
Replies: 1
by vaspmpi » Thu Nov 01, 2012 3:56 pm

1 Replies

1370 Views

Last post by support_vasp
Thu Sep 12, 2024 7:59 am
Spin-orbit coupling breaks symmetry of forces in HSE calculation

Last post by support_vasp « Thu Sep 12, 2024 7:59 am
Replies: 1
by hipertrofia » Fri Feb 22, 2013 7:03 pm

1 Replies

1583 Views

Last post by support_vasp
Thu Sep 12, 2024 7:59 am
Error - internal ERROR RSPHER:running out of buffer 0

Last post by support_vasp « Thu Sep 12, 2024 7:59 am
Replies: 1
by kmkumar » Sat Oct 29, 2011 3:03 am

1 Replies

1562 Views

Last post by support_vasp
Thu Sep 12, 2024 7:59 am
Total Energy functional

Last post by support_vasp « Thu Sep 12, 2024 7:58 am
Replies: 1
by umklapp » Fri Jun 08, 2012 8:21 pm

1 Replies

1183 Views

Last post by support_vasp
Thu Sep 12, 2024 7:58 am
CHGCAR grid is in direct coordinates?

Last post by support_vasp « Thu Sep 12, 2024 7:58 am
Replies: 1
by hess8 » Fri Jun 08, 2012 5:38 pm

1 Replies

1236 Views

Last post by support_vasp
Thu Sep 12, 2024 7:58 am
Is it the Nose or Nose-hoover thermostat for SMASS >= 0?

Last post by support_vasp « Thu Sep 12, 2024 7:58 am
Replies: 1
by cenwanglai » Sun Sep 09, 2012 4:07 am

1 Replies

1319 Views

Last post by support_vasp
Thu Sep 12, 2024 7:58 am
vasp5.2 optical caculation

Last post by support_vasp « Thu Sep 12, 2024 7:58 am
Replies: 1
by sdwang » Mon May 16, 2011 10:11 am

1 Replies

1572 Views

Last post by support_vasp
Thu Sep 12, 2024 7:58 am
Optics in scGW

Last post by support_vasp « Thu Sep 12, 2024 7:58 am
Replies: 1
by swarup123 » Mon Nov 05, 2012 12:15 pm

1 Replies

1396 Views

Last post by support_vasp
Thu Sep 12, 2024 7:58 am
Optical Properies for the case of NANOSHEETS

Last post by support_vasp « Thu Sep 12, 2024 7:57 am
Replies: 1
by giacomo giorgi » Mon Feb 25, 2013 9:50 am

1 Replies

1375 Views

Last post by support_vasp
Thu Sep 12, 2024 7:57 am
External electric field in VASP-5.2.2

Last post by support_vasp « Thu Sep 12, 2024 7:57 am
Replies: 1
by ASSOWE omar » Tue Jun 21, 2011 12:01 pm

1 Replies

2535 Views

Last post by support_vasp
Thu Sep 12, 2024 7:57 am
the parameter NBLOCK

Last post by support_vasp « Thu Sep 12, 2024 7:57 am
Replies: 1
by Neutrino » Sat Sep 03, 2011 9:06 pm

1 Replies

1241 Views

Last post by support_vasp
Thu Sep 12, 2024 7:57 am
k-point parallelization

Last post by support_vasp « Thu Sep 12, 2024 7:57 am
Replies: 1
by cyc99 » Mon Oct 31, 2011 12:32 pm

1 Replies

1574 Views

Last post by support_vasp
Thu Sep 12, 2024 7:57 am
Can anyone give me some hint where W%CPROJ is initialized in VASP?

Last post by support_vasp « Thu Sep 12, 2024 7:57 am
Replies: 1
by bsmile » Mon Dec 26, 2011 5:26 am

1 Replies

1183 Views

Last post by support_vasp
Thu Sep 12, 2024 7:57 am
Reading LOCPOT & CHG

Last post by support_vasp « Thu Sep 12, 2024 7:57 am
Replies: 1
by b_lack » Fri Feb 24, 2012 5:06 am

1 Replies

1666 Views

Last post by support_vasp
Thu Sep 12, 2024 7:57 am
Question about the temperature in MD simulation

Last post by support_vasp « Thu Sep 12, 2024 7:56 am
Replies: 1
by xskong » Mon Sep 10, 2012 4:20 am

1 Replies

1192 Views

Last post by support_vasp
Thu Sep 12, 2024 7:56 am
Questions for Tkatchenko Scheffler vdW correction in VASP 5.3.3

Last post by support_vasp « Thu Sep 12, 2024 7:56 am
Replies: 1
by linusjoonho » Fri Jan 11, 2013 4:16 pm

1 Replies

1619 Views

Last post by support_vasp
Thu Sep 12, 2024 7:56 am
Gibb's Free enregy and Chemical Potential

Last post by support_vasp « Thu Sep 12, 2024 7:56 am
Replies: 1
by sharma » Mon Sep 05, 2011 5:15 am

1 Replies

1496 Views

Last post by support_vasp
Thu Sep 12, 2024 7:56 am
Need help with superposition of a Fe-atom

Last post by support_vasp « Thu Sep 12, 2024 7:56 am
Replies: 1
by drikth » Sun Jun 10, 2012 11:15 pm

1 Replies

1137 Views

Last post by support_vasp
Thu Sep 12, 2024 7:56 am
problem in my calculation

Last post by support_vasp « Thu Sep 12, 2024 7:56 am
Replies: 1
by sunny » Tue Sep 11, 2012 4:17 am

1 Replies

1010 Views

Last post by support_vasp
Thu Sep 12, 2024 7:56 am

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