Use a better H potential for test v7#69

This commit is contained in:
Xavier Gonze gonzex@u-tsumura.bruyeres.cea.fr 2017-09-14 15:37:20 +02:00
parent 9073309de1
commit 922aa3117a
3 changed files with 6582 additions and 8095 deletions

File diff suppressed because it is too large Load Diff

File diff suppressed because it is too large Load Diff

View File

@ -48,7 +48,7 @@
#%% [files]
#%% files_to_test =
#%% t69.out, tolnlines = 0, tolabs = 0.000e-00, tolrel = 0.000e-00, fld_options = -easy
#%% psp_files = C.xml, H.xml
#%% psp_files = C.xml, H4.GGA_X_PBE+GGA_C_PBE-paw.xml
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]