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13 Commits

Author SHA1 Message Date
fabrizio22 483f3cda79 dxc_LR - compute_vsgga on acc 2022-07-22 10:25:33 +02:00
Paolo Giannozzi 9900252cd4 Reshuffling of spin-orbit variables 2021-10-22 07:56:50 +02:00
fabrizio22 3b4a7200ec libxc-more - possible qe-libxc conflicts fixed 3 2021-06-30 16:27:51 +02:00
fabrizio22 509ce8ad64 XClib - all in module xc_lib 2021-01-06 15:42:52 +01:00
fabrizio22 8da3d663e1 XClib - funct into XClib (except vdw) 2021-01-06 15:36:00 +01:00
fabrizio22 0336b35bc3 XClib - gga wrapper 2021-01-06 15:36:00 +01:00
Fabrizio Ferrari dfddf86119 init_xc removed except in funct.f90 and other adjustments 2019-06-10 16:00:23 +00:00
Fabrizio Ferrari 9a5bc8d5a8 GGA vectorized and libxc functionals included 2019-06-04 07:26:24 +00:00
Iurii Timrov 0bc76d8100 Implementation of the new code hp.x to compute Hubbard U from DFPT. 
Iurii Timrov, Nicola Marzari, and Matteo Cococcioni,
Phys. Rev. B 98, 085127 (2018); arXiv:1805.01805
 2018-08-29 14:54:42 +02:00
Paolo Giannozzi 723dc4ef40 Routine "gradrho" moved to gradutils, with new name "fft_gradient_g2r", 
while previous "fft_gradient" becomes "fft_gradient_r2r".
Routine "grad_dot" moved to gradutils, with new name "fft_graddot" and
removal of useless variable in the list of argument.
 2018-01-16 22:13:52 +01:00
Paolo Giannozzi cc988c0fe2 Functions gradrho and grad_dot made uniform with other similar routined. 2018-01-15 21:41:21 +01:00
Carlo Cavazzoni 4cab1886ee indexes nl now taken from fft type 2017-12-24 15:24:26 +01:00
timrov 76d8daa48c Copying the routine compute_vsgga.f90 from PHonon/PH to LR_Modules 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12165 c92efa57-630b-4861-b058-cf58834340f0
 2016-02-27 15:30:21 +00:00