diff -ru vasp.6.3.0.vtst.orig/src/main.F vasp.6.3.0.vtst/src/main.F --- vasp.6.3.0.vtst.orig/src/main.F 2022-04-07 08:59:17.923790000 +0200 +++ vasp.6.3.0.vtst/src/main.F 2022-04-07 09:22:30.232763424 +0200 @@ -922,7 +922,7 @@ ! init all chains (INCAR reader) !----------------------------------------------------------------------- LCHAIN = IMAGES > 0 .AND. .NOT.AFQMC_SET % ACTIVE - IF (LCHAIN) CALL chain_init( T_INFO, IO) + CALL chain_init( T_INFO, IO) !----------------------------------------------------------------------- !xml finish copying parameters from INCAR to xml file ! no INCAR reading from here @@ -3517,7 +3517,7 @@ ENDIF CALL CHAIN_FORCE(T_INFO%NIONS,DYN%POSION,TOTEN,TIFOR, & - LATT_CUR%A,LATT_CUR%B,IO%IU6) + TSIF,LATT_CUR%A,LATT_CUR%B,IO%IU6) CALL PARALLEL_TEMPERING(NSTEP,T_INFO%NIONS,DYN%POSION,DYN%VEL,TOTEN,TIFOR,DYN%TEBEG,DYN%TEEND, & LATT_CUR%A,LATT_CUR%B,IO%IU6)